PAC
Summary
| Name: | 2-PHENYLACETIC ACID |
| Formula: | C8 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 136.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | phenylacetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-phenylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
| InChIKey | InChI | 1.03 | WLJVXDMOQOGPHL-UHFFFAOYSA-N |
