8EZ
Summary
| Name: | (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid |
| Formula: | C8 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 142.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | VSKXJRZPVDLHFY-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CCCC[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CCCCC1C(=O)O |
