Compounds
Chemistry / compounds.yaml 80 records
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compounds 80
compounds
| Common Name | Iupac Name | Formula | Mw | Smiles | Inchi Key |
|---|---|---|---|---|---|
| Water | Oxidane | H2O | 18.015 | O | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
| Ethanol | Ethanol | C2H6O | 46.07 | CCO | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
| Methanol | Methanol | CH4O | 32.04 | CO | OKKJLVBELUTLKV-UHFFFAOYSA-N |
| Acetone | Propan-2-one | C3H6O | 58.08 | CC(=O)C | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| Benzene | Benzene | C6H6 | 78.11 | c1ccccc1 | UHOVQNZJYSORNB-UHFFFAOYSA-N |
| Methane | Methane | CH4 | 16.04 | C | VNWKTOKETHGBQD-UHFFFAOYSA-N |
| Carbon Dioxide | Carbon Dioxide | CO2 | 44.01 | O=C=O | CURLTUGMZLYLDI-UHFFFAOYSA-N |
| Ammonia | Azane | NH3 | 17.03 | N | QGZKDVFQNNGYKY-UHFFFAOYSA-N |
| Oxygen Gas | Dioxygen | O2 | 32 | O=O | MYMOFIZGZYHOMD-UHFFFAOYSA-N |
| Nitrogen Gas | Dinitrogen | N2 | 28.013 | N#N | IJGRMHOSHXDMSA-UHFFFAOYSA-N |
| Sulfuric Acid | Sulfuric Acid | H2SO4 | 98.079 | OS(=O)(=O)O | QAOWNCQODCNURD-UHFFFAOYSA-N |
| Hydrochloric Acid | Chlorane | HCl | 36.46 | Cl | VEXZGXHMUGYJMC-UHFFFAOYSA-N |
| Nitric Acid | Nitric Acid | HNO3 | 63.01 | [N+](=O)(O)[O-] | GRYLTEWPSTWSBS-UHFFFAOYSA-N |
| Phosphoric Acid | Phosphoric Acid | H3PO4 | 97.994 | OP(=O)(O)O | NBIIXXPSOHLCSB-UHFFFAOYSA-N |
| Acetic Acid | Acetic Acid | CH3COOH | 60.05 | CC(=O)O | QTBSBXSVS2ZRT-UHFFFAOYSA-N |
| Sodium Hydroxide | Sodium Hydroxide | NaOH | 39.997 | [OH-].[Na+] | HEMHJVSKTPXQMS-UHFFFAOYSA-M |
| Potassium Hydroxide | Potassium Hydroxide | KOH | 56.11 | [OH-].[K+] | KWYUHLHDHHCSDU-UHFFFAOYSA-M |
| Calcium Hydroxide | Calcium Hydroxide | Ca(OH)2 | 74.09 | [OH-].[OH-].[Ca+2] | AXMTMBWJMSUNSR-UHFFFAOYSA-L |
| Table Salt | Sodium Chloride | NaCl | 58.44 | [Na+].[Cl-] | FAPWRFPIFSIZLC-UHFFFAOYSA-M |
| Sodium Carbonate | Sodium Carbonate | Na2CO3 | 105.99 | [Na+].[Na+].[O-]C([O-])=O | CURLTUGMZLYLDI-UHFFFAOYSA-N |
| Sodium Bicarbonate | Sodium Hydrogen Carbonate | NaHCO3 | 84.007 | [Na+].[O-]C(O)=O | UIIMBOGPIPROQX-UHFFFAOYSA-M |
| Calcium Carbonate | Calcium Carbonate | CaCO3 | 100.09 | [Ca+2].[O-]C([O-])=O | VTYVIXMKXJHAIA-UHFFFAOYSA-L |
| Magnesium Sulfate | Magnesium Sulfate | MgSO4 | 120.37 | [Mg+2].[O-]S([O-])(=O)=O | CSAIUIAACKWUQE-UHFFFAOYSA-L |
| Potassium Nitrate | Potassium Nitrate | KNO3 | 101.1 | [K+].[O-][N+](=O)[O-] | FGIUAXJPYOCYNR-UHFFFAOYSA-N |
| Iron(III) Oxide | Iron(III) Oxide | Fe2O3 | 159.69 | O=[Fe]O[Fe]=O | RBNPOMFGQQXHOY-UHFFFAOYSA-N |
| Aluminum Oxide | Aluminum Oxide | Al2O3 | 101.96 | O=[Al]O[Al]=O | PNEYBMLXYXNXEB-UHFFFAOYSA-N |
| Silicon Dioxide | Silicon Dioxide | SiO2 | 60.08 | O=[Si]=O | VYPSBTXCWSMBRY-UHFFFAOYSA-N |
| Ethane | Ethane | C2H6 | 30.07 | CC | OTMSVHYCSIBCQX-UHFFFAOYSA-N |
| Propane | Propane | C3H8 | 44.1 | CCC | ATUOYWHBWSUMPG-UHFFFAOYSA-N |
| Butane | Butane | C4H10 | 58.12 | CCCC | IJGRWLBCYLDXAN-UHFFFAOYSA-N |
| Ethene | Ethene | C2H4 | 28.05 | C=C | VGGSQFUCUMXWOH-UHFFFAOYSA-N |
| Ethyne | Ethyne | C2H2 | 26.04 | C#C | HSSTZOKCHPEUHL-UHFFFAOYSA-N |
| Isopropanol | Propan-2-ol | C3H8O | 60.1 | CC(O)C | KFPIQYIMHHLWEA-UHFFFAOYSA-N |
| Glycerol | Propane-1,2,3-triol | C3H8O3 | 92.09 | OCC(O)CO | PEDCQMAWRSLBCP-UHFFFAOYSA-N |
| Formaldehyde | Methanal | CH2O | 30.03 | C=O | WSFSSNUMVMOOMR-UHFFFAOYSA-N |
| Chloroform | Trichloromethane | CHCl3 | 119.38 | ClC(Cl)Cl | HEDRZPFGACZZDS-UHFFFAOYSA-N |
| Diethyl Ether | Ethoxyethane | C4H10O | 74.12 | CCOCC | RTZKZFJDLAWIBC-UHFFFAOYSA-N |
| 1,3-Butadiene | Buta-1,3-diene | C4H6 | 54.09 | C=CC=C | KAKFNVVYMSNSOS-UHFFFAOYSA-N |
| Cyclohexene | Cyclohexene | C6H10 | 82.14 | C1=CCCCC1 | KWKAKUADUDWSCU-UHFFFAOYSA-N |
| Chloromethane | Chloromethane | CH3Cl | 50.49 | CCl | NEHMKBQYUWJMIP-UHFFFAOYSA-N |
| tert-Butyl Alcohol | 2-Methylpropan-2-ol | C4H10O | 74.12 | CC(C)(O)C | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| Glucose | D-Glucose | C6H12O6 | 180.156 | OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | WQZGKKKJIHHJGD-UHFFFAOYSA-N |
| Fructose | D-Fructose | C6H12O6 | 180.16 | OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Sucrose | Sucrose | C12H22O11 | 342.3 | OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | CZMRCDWAGMRECN-UGDNMDTDSA-N |
| Glycine | Glycine | C2H5NO2 | 75.07 | NCC(O)=O | DHMQDGOQVMQHNF-UHFFFAOYSA-N |
| Alanine | L-Alanine | C3H7NO2 | 89.09 | N[C@@H](C)C(O)=O | QNAYBMGJBZJNAV-UWTPIUMTSA-N |
| Urea | Urea | CH4N2O | 60.06 | NC(N)=O | XSQUVXHPRREIAV-UHFFFAOYSA-N |
| Cholesterol | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | C27H46O | 386.65 | CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | HVYWMOMLDIMFJA-DPAQBDDTSA-N |
| Caffeine | 1,3,7-Trimethylpurine-2,6-dione | C8H10N4O2 | 194.19 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| ATP | Adenosine Triphosphate | C10H16N5O13P3 | 507.18 | Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O | ZKHQWZAMLMQQOZ-UHFFFAOYSA-N |
| Aspirin | 2-Acetoxybenzoic acid | C9H8O4 | 180.16 | CC(=O)Oc1ccccc1C(O)=O | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Formic Acid | Methanoic Acid | CH2O2 | 46.025 | C(=O)O | BDAGSRXWPSYISH-UHFFFAOYSA-N |
| Propionic Acid | Propanoic Acid | C3H6O2 | 74.08 | CCC(=O)O | XBDYBSJFLMSYMT-UHFFFAOYSA-N |
| Ethyl Acetate | Ethyl Acetate | C4H8O2 | 88.11 | CCOC(C)=O | XEKOWRVHYACUCX-UHFFFAOYSA-N |
| Phenol | Phenol | C6H6O | 94.11 | Oc1ccccc1 | ISWSIDPKBCGZRE-UHFFFAOYSA-N |
| Pyridine | Pyridine | C5H5N | 79.1 | c1ccncc1 | JUJWROOIHBIMOV-UHFFFAOYSA-N |
| Toluene | Methylbenzene | C7H8 | 92.14 | Cc1ccccc1 | YXFVVABEGXCHDN-UHFFFAOYSA-N |
| Sodium Nitrate | Sodium Nitrate | NaNO3 | 84.99 | [Na+].[O-][N+](=O)[O-] | VWDWEXIUPSTXDT-UHFFFAOYSA-N |
| Potassium Chloride | Potassium Chloride | KCl | 74.55 | [K+].[Cl-] | WCUXLLSDBIDVAL-UHFFFAOYSA-M |
| Magnesium Oxide | Magnesium Oxide | MgO | 40.3 | [Mg+2].[O-2] | CPLXHLVBOLONEM-UHFFFAOYSA-N |
| Calcium Oxide | Calcium Oxide | CaO | 56.077 | [Ca+2].[O-2] | BZHJMEDXRYGHLV-UHFFFAOYSA-N |
| Cesium Chloride | Cesium Chloride | CsCl | 168.36 | [Cs+].[Cl-] | AIYUHDOXPQMCLM-UHFFFAOYSA-M |
| Aluminum Chloride | Aluminum Trichloride | AlCl3 | 133.34 | Cl[Al](Cl)Cl | VSCWAEJMTAWNJL-UHFFFAOYSA-N |
| Methylmagnesium Bromide | Methylmagnesium Bromide | CH3MgBr | 119.24 | C[Mg]Br | OPQRIKUBTORKPP-UHFFFAOYSA-M |
| Magnesium Hydroxybromide | Magnesium Hydroxybromide | Mg(OH)Br | 121.22 | O[Mg]Br | HZJWYXFKYALXOP-UHFFFAOYSA-M |
| Polyethylene | Poly(ethene) | (C2H4)n | 28.05 | *CC* | URUVHLGJZREJMG-UHFFFAOYSA-N |
| Polyvinyl Chloride | Poly(1-chloroethylene) | (C2H3Cl)n | 62.5 | *CC(Cl)* | BAFXYNUNRUCYPU-UHFFFAOYSA-N |
| Polystyrene | Poly(1-phenylethene) | (C8H8)n | 104.15 | *CC(c1ccccc1)* | TUKRSCOBDHCHCB-UHFFFAOYSA-N |
| Teflon | Polytetrafluoroethylene | (C2F4)n | 100.02 | *CC(F)(F)C(F)(F)* | XSVNPHNCTXYGMR-UHFFFAOYSA-N |
| Cisplatin | (SP-4-2)-diamminedichloroplatinum(II) | PtCl2H6N2 | 300.01 | N.N.[Cl-].[Cl-].[Pt+2] | LBLYIHYGFFMDUC-UHFFFAOYSA-N |
| Ferrocene | Bis(eta5-cyclopentadienyl)iron | C10H10Fe | 186.03 | [Fe++].c1cccc1.c1cccc1 | KJFMBDSGZALUMY-UHFFFAOYSA-N |
| Potassium Permanganate | Potassium Manganate(VII) | KMnO4 | 158.03 | [K+].[O-][Mn](=O)(=O)=O | VZJVWSHVAAUDKD-UHFFFAOYSA-N |
| Copper(II) Sulfate | Copper(II) Sulfate | CuSO4 | 159.61 | [Cu+2].[O-]S([O-])(=O)=O | ARXKVVRQABRREI-UHFFFAOYSA-L |
| Silver Nitrate | Silver(I) Nitrate | AgNO3 | 169.87 | [Ag+].[O-][N+](=O)[O-] | SQPMAVHAARXSRJ-UHFFFAOYSA-N |
| Vitamin C | (5R)-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one | C6H8O6 | 176.12 | C([C@@H]([C@H]1C(=C(C(=O)O1)O)O)O)O | CIWBSLSIPWCQBC-UXHICORSSA-N |
| Ibuprofen | (RS)-2-(4-isobutylphenyl)propanoic acid | C13H18O2 | 206.29 | CC(C)Cc1ccc(cc1)C(C)C(=O)O | HEFNNWSXXMWOTM-UHFFFAOYSA-N |
| Paracetamol | N-(4-hydroxyphenyl)acetamide | C8H9NO2 | 151.16 | CC(=O)Nc1ccc(O)cc1 | RZVAJINKPMORJF-UHFFFAOYSA-N |
| Hexamethylenediamine | Hexane-1,6-diamine | C6H16N2 | 116.21 | NCCCCCCN | QUYVSRXNIDYIHA-UHFFFAOYSA-N |
| Adipic Acid | Hexanedioic Acid | C6H10O4 | 146.14 | OC(=O)CCCCC(=O)O | WNLRTRBMVRJNCN-UHFFFAOYSA-N |
| Ethylene Glycol | Ethane-1,2-diol | C2H6O2 | 62.07 | OCCO | LYCAIKOWRPSROC-UHFFFAOYSA-N |