Basic information
- CAS
101952-80-1- Standard SMILES
Cc1cccc(C(OC(=O)c2cccnc2)c2ccccc2)c1- InChIKey
ZHMDASMDTSWVRD-UHFFFAOYSA-N- Molecular formula
- C20H17NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12592879
Names & identifiers
- Preferred name
- Nicotinic acid, alpha-(m-tolyl)benzyl ester
- IUPAC
- [(3-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
Names & synonyms
NICOTINIC ACID, alpha-(m-TOLYL)BENZYL ESTER101952-80-1RefChem:1092402alpha-(m-Tolyl)benzyl nicotinateBRN 0259017DTXSID80906899(3-METHYLPHENYL)(PHENYL)METHYL PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
101952-80-1- PubChem CID
- 59192
- DTXSID
DTXSID80906899- Nikkaji
- J68.332I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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