Lactic Acid
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CAS Number 50-21-5
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Catalog Number io-406824
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Molecular Weight 90.0800
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SMILES CC(C(=O)O)O
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2-hydroxypropanoic acid is a 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. It has a role as a Daphnia magna metabolite and an algal metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a lactate.
| 1 | lactic acid |
| 2 | 2-hydroxypropanoic acid |
| 3 | DL-Lactic acid |
| 4 | 2-hydroxypropionic acid |
| 5 | Tonsillosan |
| Molecular Formula | C3H6O3 |
|---|---|
| Canonical SMILES | CC(C(=O)O)O |
| Isomeric SMILES | CC(C(=O)O)O |
| Molecular Weight | 90.0800 |
| InChIKey | JVTAAEKCZFNVCJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) |
| XLogP | -0.7000 |
| ExactMass | 90.0317 |
| MonoisotopicMass | 90.0317 |
| TPSA | 57.5000 |
| Complexity | 59.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 6 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 175414 |
| PatentFamilyCount | 82328 |
| LiteratureCount | 118451 |
