APG
Summary
Name: | ATROLACTIC ACID (2-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-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 |
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 |
InChI | InChI | 1.03 | InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | NWCHELUCVWSRRS-VIFPVBQESA-N |