7,7-Dimethyl-3-methylidene-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
Basic information
- CAS
791067-24-8- Standard SMILES
C=C1C(=O)C2(C(=O)O)CCC1C2(C)C- InChIKey
BMDHETSUHCDKPH-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
Names & identifiers
- Preferred name
- 7,7-Dimethyl-3-methylidene-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
- IUPAC
- 7,7-dimethyl-3-methylidene-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
- English name
- Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-3-methylene-2-oxo- (9CI)
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
791067-24-8CHEMBL186565DB-286100BICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID, 7,7-DIMETHYL-3-METHYLENE-2-OXO-Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-3-methylene-2-oxo- (9CI)
Database identifiers
- CAS
791067-24-8- ChEMBL
CHEMBL186565
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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