CLT
Summary
| Name: | 4-PHENYL-BUTANOIC ACID |
| Synonyms: | GAMMA-PHENYL-BUTYRIC ACID |
| Formula: | C10 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-phenylbutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-phenylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)CCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChIKey | InChI | 1.03 | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
