KPV
Summary
| Name: | 5-PHENYL-2-KETO-VALERIC ACID |
| Synonyms: | 2-OXO-5-PHENYLPENTANOIC ACID |
| Formula: | C11 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 192.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-oxo-5-phenylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-oxo-5-phenyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)CCCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)CCCc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)CCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | MJXXAPORLGKVLB-UHFFFAOYSA-N |
