A1J8R
Summary
| Name: | 3-cyclopropylbenzoic acid |
| Formula: | C10 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-cyclopropylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12) |
| InChIKey | InChI | 1.06 | RQRAQQYDNSRVRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)C2CC2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)C2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)C2CC2 |
