3-Homoadamantanecarboxylic acid
tricyclo[4.3.1.13,8]undecane-3-carboxylic acid
Also Known As: 3-Homoadamantanecarboxylic acid|Oprea1_423393|3-homoadamantanecarboxylate (3HAC)|Tricyclo[4.3.1.13,8]undecane-3-carboxylic acid|Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid|Tricyclo[4.3.1.1~3,8~]undecane-3-carboxylic acid
CAS: 21898-91-9
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13068 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.13068 |
| Monoisotopic Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 21898-91-9 |
|---|---|
| SMILES | C1CC2(CC3CC1CC(C3)C2)C(=O)O |
| InChIKey | ZWJPDTCMULYABF-UHFFFAOYSA-N |
Product Overview
3-Homoadamantanecarboxylic acid (CAS 21898-91-9), with molecular formula C12H18O2 and molecular weight 194.13068 g/mol. IUPAC: tricyclo[4.3.1.13,8]undecane-3-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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