7UZ
Summary
| Name: | 2-(cyclohexylmethyl)propanedioic acid |
| Formula: | C10 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 200.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (cyclohexylmethyl)propanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(cyclohexylmethyl)propanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C(=O)O)CC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | PYKSXWASTAWCSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(CC1CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C(CC1CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CC(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CC(C(=O)O)C(=O)O |
