Basic information
- CAS
101895-26-5- Standard SMILES
O=C(OC(c1ccccc1)c1ccccc1)c1cccnc1- InChIKey
PXYLRFZSCPICNC-UHFFFAOYSA-N- Molecular formula
- C19H15NO2
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.11027872
Names & identifiers
- Preferred name
- Nicotinic acid, alpha-phenylbenzyl ester
- IUPAC
- benzhydryl pyridine-3-carboxylate
Names & synonyms
NICOTINIC ACID, alpha-PHENYLBENZYL ESTER101895-26-5DTXSID60144318RefChem:1092405DTXCID7066809alpha-Phenylbenzyl nicotinateBRN 0227632DIPHENYLMETHYL PYRIDINE-3-CARBOXYLATESCHEMBL9478771
Database identifiers
- CAS
101895-26-5- PubChem CID
- 59073
- DTXSID
DTXSID60144318- Nikkaji
- J68.317E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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