(6-Oxobicyclo[2.2.1]heptan-2-yl)methyl acetate
Basic information
- CAS
81523-34-4- Standard SMILES
CC(=O)OCC1CC2CC(=O)C1C2- InChIKey
YKRIKKDZDKKGKF-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- (6-Oxobicyclo[2.2.1]heptan-2-yl)methyl acetate
- IUPAC
- (6-oxo-2-bicyclo[2.2.1]heptanyl)methyl acetate
Names & synonyms
81523-34-4NSC134989(6-oxobicyclo[2.2.1]heptan-2-yl)methyl acetateSCHEMBL9593536DTXSID901002024NSC-134989
Database identifiers
- CAS
81523-34-4- PubChem CID
- 281964
- DTXSID
DTXSID901002024
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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