Summary
Name: | 3-PHENYL-LACTIC 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-3-phenylpropanoic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-3-phenyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(O)Cc1ccccc1 |
InChI | InChI | 1.02b | InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H |
InChIKey | InChI | 1.02b | VOXXWSYKYCBWHO-KMJKUPBBDH |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](Cc1ccccc1)C(O)=O |
SMILES | CACTVS | 3.341 | O[CH](Cc1ccccc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)O)O |