Basic information
- CAS
67210-55-3- Standard SMILES
CN1C2CCC1CC(OC(=O)/C(=C/c1ccccc1)c1ccc(O)cc1)C2- InChIKey
XXPMCYXTMLXWIG-LPYMAVHISA-N- Molecular formula
- C23H25NO3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.18344366
Names & identifiers
- Preferred name
- Cinnamic acid, alpha-(p-hydroxyphenyl)-, 3-tropanyl ester
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-hydroxyphenyl)-3-phenylprop-2-enoate
Names & synonyms
CINNAMIC ACID, alpha-(p-HYDROXYPHENYL)-, 3-TROPANYL ESTER67210-55-3RefChem:1081800BRN 1504669alpha-(p-Hydroxyphenyl)cinnamic acid 3-tropanyl ester
Database identifiers
- CAS
67210-55-3- PubChem CID
- 6435005
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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