FBZ
Summary
| Name: | (3S)-3-phenylbutanoic acid |
| Formula: | C10 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-phenylbutanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-phenylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(c1ccccc1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](CC(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.370 | C[CH](CC(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CC(=O)O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(=O)O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | ZZEWMYILWXCRHZ-QMMMGPOBSA-N |
