Basic information
- CAS
71199-02-5- Standard SMILES
CCOC(=O)N1OC2C=CC1CC2- InChIKey
GFRDQQXFBHAQDF-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- Ethyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
- IUPAC
- ethyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Names & synonyms
71199-02-5NSC377837DTXSID20321567Ethyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylateNSC-377837
Database identifiers
- CAS
71199-02-5- PubChem CID
- 342186
- DTXSID
DTXSID20321567
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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