(1R,4S)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Basic information
- CAS
6703-31-7- Standard SMILES
CC1(C)[C@@]2(C(=O)[O-])CC[C@]1(C)C(=O)C2- InChIKey
RKFCLVFAFZYVCG-MNOVXSKESA-M- Molecular formula
- C11H15O3-
- Average molar mass
- 195.23 g/mol
- Monoisotopic mass
- 195.10211934
Names & identifiers
- Preferred name
- (1R,4S)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
- IUPAC
- (1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Names & synonyms
DTXSID30985912(1R,4S)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Database identifiers
- CAS
6703-31-7- PubChem CID
- 6933722
- DTXSID
DTXSID30985912
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 326
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Compound notes
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