9RW
Summary
| Name: | (2~{S})-2-phenylpropanoic acid |
| Formula: | C9 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 150.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-phenylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | YPGCWEMNNLXISK-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccccc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)C(=O)O |
