Basic information
- CAS
119137-76-7- Standard SMILES
CCOC(=O)CC12CC1CCCC2=O- InChIKey
CONROKZEFXQQKS-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 2-Oxobicyclo[4.1.0]heptane-1-acetic Acid Ethyl Ester
- IUPAC
- ethyl 2-(2-oxo-1-bicyclo[4.1.0]heptanyl)acetate
Names & synonyms
119137-76-72-Oxobicyclo[4.1.0]heptane-1-acetic Acid Ethyl EsterSCHEMBL10554670DTXSID80563840CONROKZEFXQQKS-UHFFFAOYSA-NEthyl (2-oxobicyclo[4.1.0]heptan-1-yl)acetate
Database identifiers
- CAS
119137-76-7- PubChem CID
- 14770207
- DTXSID
DTXSID80563840- Nikkaji
- J884.100D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
6 records
Compound notes
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