A1H6A
Summary
| Name: | adamantane-1-carboxylic acid |
| Formula: | C11 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | adamantane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11- |
| InChIKey | InChI | 1.06 | JIMXXGFJRDUSRO-KJZNFTALSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C12CC3CC(CC(C3)C1)C2 |
| SMILES | CACTVS | 3.385 | OC(=O)C12CC3CC(CC(C3)C1)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C2CC3CC1CC(C2)(C3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2CC3CC1CC(C2)(C3)C(=O)O |
