A1ENP
Summary
| Name: | 1-Adamantylacetic acid |
| Synonyms: | 2-(1-adamantyl)ethanoic acid |
| Formula: | C12 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1-adamantyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10-,12- |
| InChIKey | InChI | 1.06 | AOTQGWFNFTVXNQ-GOCCLTDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC12CC3CC(CC(C3)C1)C2 |
| SMILES | CACTVS | 3.385 | OC(=O)CC12CC3CC(CC(C3)C1)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C2CC3CC1CC(C2)(C3)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2CC3CC1CC(C2)(C3)CC(=O)O |
