Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, (2-morpholinoethyl) ester, hydrochloride
Basic information
- CAS
37906-94-8- Standard SMILES
O=C(OCC[NH+]1CCOCC1)C1C2C=CC=CCC21.[Cl-]- InChIKey
SIVOPYGSCYMEMI-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO3
- Average molar mass
- 299.79 g/mol
- Monoisotopic mass
- 299.1288213
Names & identifiers
- Preferred name
- Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, (2-morpholinoethyl) ester, hydrochloride
- IUPAC
- 2-morpholin-4-ium-4-ylethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate chloride
Names & synonyms
MP 21Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, (2-morpholinoethyl) ester, hydrochloride37906-94-8RefChem:329414
Database identifiers
- CAS
37906-94-8- PubChem CID
- 37857
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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