Adipic Acid
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CAS Number 124-04-9
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Catalog Number io-1674
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Classification Acids
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Molecular Weight 146.1400
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SMILES C(CCC(=O)O)CC(=O)O
| Size | QTY | Notes | |
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Adipic acid is an alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. It has a role as a food acidity regulator and a human xenobiotic metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of an adipate(1-).
| 1 | adipic acid |
| 2 | hexanedioic acid |
| 3 | Adipinic acid |
| 4 | 1,4-Butanedicarboxylic acid |
| 5 | Acifloctin |
| Molecular Formula | C6H10O4 |
|---|---|
| Canonical SMILES | C(CCC(=O)O)CC(=O)O |
| Isomeric SMILES | C(CCC(=O)O)CC(=O)O |
| Molecular Weight | 146.1400 |
| InChIKey | WNLRTRBMVRJNCN-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| XLogP | 0.1000 |
| ExactMass | 146.0579 |
| MonoisotopicMass | 146.0579 |
| TPSA | 74.6000 |
| Complexity | 114.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 299973 |
| PatentFamilyCount | 114738 |
| LiteratureCount | 5470 |
