Cinnamic acid, p-chloro-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride
Basic information
- CAS
67210-47-3- Standard SMILES
COc1ccc(/C(=C\c2ccc(Cl)cc2)C(=O)OC2CC3CCC(C2)[NH+]3C)cc1.[Cl-]- InChIKey
LICYFKWVZVSLBN-PUZWSPMBSA-N- Molecular formula
- C24H27Cl2NO3
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 447.1367991
Names & identifiers
- Preferred name
- Cinnamic acid, p-chloro-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride
- IUPAC
- (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)prop-2-enoate chloride
Names & synonyms
Cinnamic acid, p-chloro-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride67210-47-3RefChem:1081838p-Chloro-alpha-(p-methoxyphenyl)cinnamic acid 3-tropanyl ester hydrochloride
Database identifiers
- CAS
67210-47-3- PubChem CID
- 6434993
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…