Basic information
- CAS
37906-93-7- Standard SMILES
CC[NH+](CC)CCOC(=O)C1C2C=CC=CCC21.[Cl-]- InChIKey
YEDAXMKYZYKQKM-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1495567
Names & identifiers
- Preferred name
- Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, 2-(diethylaminoethyl) ester, hydrochloride
- IUPAC
- 2-(bicyclo[5.1.0]octa-2,4-diene-8-carbonyloxy)ethyl-diethylazanium chloride
Names & synonyms
MP 19Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, 2-(diethylaminoethyl) ester, hydrochloride37906-93-7RefChem:329417
Database identifiers
- CAS
37906-93-7- PubChem CID
- 37855
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…