HFA
Summary
| Name: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID |
| Formula: | C9 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 166.174 Da |
| Component type: | L-PEPTIDE LINKING |
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 |
| 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 |
| InChI | InChI | 1.03 | InChI=1S/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 |
| InChIKey | InChI | 1.03 | VOXXWSYKYCBWHO-QMMMGPOBSA-N |
