Basic information
- CAS
36939-02-3- Standard SMILES
O=C(CCc1ccncc1)c1ccccc1- InChIKey
DZJBQKLCTJMZSJ-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- 1-Phenyl-3-pyridin-4-ylpropan-1-one
- IUPAC
- 1-phenyl-3-pyridin-4-ylpropan-1-one
Names & synonyms
1-phenyl-3-pyridin-4-ylpropan-1-one36939-02-3NSC1009911-phenyl-3-(pyridin-4-yl)propan-1-oneIsonicotinylbenzoylmethanNCIOpen2_007017SCHEMBL4603533DTXSID10295288DZJBQKLCTJMZSJ-UHFFFAOYSA-NAKOS017983727NSC-100991DB-312319
Database identifiers
- CAS
36939-02-3- PubChem CID
- 265162
- DTXSID
DTXSID10295288- Nikkaji
- J3.302.718D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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