5PV
Summary
| Name: | 5-PHENYLVALERIC ACID |
| Formula: | C11 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 178.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-phenylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 5-phenylpentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) |
| InChIKey | InChI | 1.03 | BYHDDXPKOZIZRV-UHFFFAOYSA-N |
