M74
Summary
| Name: | (2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,3R)-2,3-bis(oxidanyl)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | BNOUUNAFHCJIJD-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]([C@H](O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]([CH](O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(C(C(=O)O)O)O |
