WJ1
Summary
| Name: | (S)-2-chloro-3-phenylpropanoic acid |
| Formula: | C9 H9 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 184.62 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-chloranyl-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LIDRHDRWTSPELB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H](Cl)Cc1ccccc1 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH](Cl)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H](C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(C(=O)O)Cl |
