Ethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
Basic information
- CAS
84752-03-4- Standard SMILES
CCOC(=O)C1CC2C=CC1O2- InChIKey
ATUZCCJUSJYINN-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- Ethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
- IUPAC
- ethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
Names & synonyms
84752-03-4ETHYL 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLATESCHEMBL4386205DTXSID40512839ATUZCCJUSJYINN-UHFFFAOYSA-NDB-3080762-ethoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-eneethyl 7-oxabicyclo[2.2.1]hept-5-en-2-carboxylateETHYL7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLATE7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester
Database identifiers
- CAS
84752-03-4- PubChem CID
- 12914722
- DTXSID
DTXSID40512839
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Related reactions
3 records
Compound notes
Loading…