Summary
| Name: | (S)-ATROLACTIC ACID |
| Synonyms: | (S)-2-HYDROXY-2-PHENYLPROPIONIC ACID (S)-ALPHA-METHYLMANDELIC ACID |
| Formula: | C9 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 166.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxy-2-phenylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-2-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)(c1ccccc1)C |
| InChI | InChI | 1.02b | InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1/f/h10H |
| InChIKey | InChI | 1.02b | NWCHELUCVWSRRS-DXYXSKIKDD |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@](O)(C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | C[C](O)(C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](c1ccccc1)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccccc1)(C(=O)O)O |
