8QM
Summary
| Name: | 4-cyclopropylbenzoic acid |
| Formula: | C10 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-cyclopropylbenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-cyclopropylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(c1ccc(C(O)=O)cc1)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12) |
| InChIKey | InChI | 1.03 | GJCRWEAWEDESNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C2CC2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2CC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2CC2)C(=O)O |
