[4-[(E)-2-pyridin-2-ylethenyl]phenyl] acetate
Basic information
- CAS
1149-57-1- Standard SMILES
CC(=O)Oc1ccc(/C=C/c2ccccn2)cc1- InChIKey
KSTDUJJGAWWLFZ-VMPITWQZSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- [4-[(E)-2-pyridin-2-ylethenyl]phenyl] acetate
- IUPAC
- [4-[(E)-2-pyridin-2-ylethenyl]phenyl] acetate
Names & synonyms
1149-57-1NSC17025NSC-17025
Database identifiers
- CAS
1149-57-1- PubChem CID
- 5899079
- Nikkaji
- J1.513.165I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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