Basic information
- CAS
37906-95-9- Standard SMILES
O=C(OCC[NH+]1CCCC1)C1C2C=CC=CCC21.[Cl-]- InChIKey
HMUSTUUPDDWRGG-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Names & identifiers
- Preferred name
- Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
- IUPAC
- 2-pyrrolidin-1-ium-1-ylethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate chloride
Names & synonyms
MP 22Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride37906-95-9RefChem:329415
Database identifiers
- CAS
37906-95-9- PubChem CID
- 37859
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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