Chemical Properties of Nicotinic acid benzyl ester (CAS 94-44-0)

Nicotinic acid benzyl ester

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InChI
InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChI Key
KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Formula
C13H11NO2
SMILES
O=C(OCc1ccccc1)c1cccnc1
Molecular Weight1
213.23
CAS
94-44-0
Other Names
  • 3-Pyridinecarboxylic acid, phenylmethyl ester
  • Benzyl nicotinate
  • Benzyl pyridine-3-carboxylate
  • Niacin benzyl ester
  • Pyridine-3-carboxylic acid benzyl ester
  • Rubriment
  • Estru benzylowego kwasu nikotynowego
  • Pycaril
  • Pykaryl
  • Nicotinic acid, phenylmethyl ester
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Physical Properties

Property Value Unit Source
log10WS -3.59 Crippen Calculated Property
logPoct/wat 2.439 Crippen Calculated Property
McVol 163.930 ml/mol McGowan Calculated Property
Inp [1770.00; 1770.00]   Show Hide
Inp 1770.00 NIST
Inp 1770.00 NIST

Similar Compounds

Nicotinic acid, (4-chlorophenyl)methyl ester. Nicotinic acid, (4-methoxyphenyl)methyl ester. Isonicotinic acid, phenylmethyl ester. Ethyl nicotinate. Nicotinic acid, 2-phenylethyl ester. Methyl nicotinate. Isonicotinic acid, (4-chlorophenyl)methyl ester. Isonicotinic acid, (4-methoxyphenyl)methyl ester. Nicotinic acid, 3-phenylpropyl ester. Nicotinic acid, 3-methylphenyl ester. Isopropyl nicotinate. 2,6-Pyridinedicarboxylic acid, di(4-chlorobenzyl) ester. Nicotinic acid, propyl ester. 3-Pyridinecarboxylic acid, 2-propenyl ester. Nicotinic acid, 2,2-dimethylpropyl ester.

Find more compounds similar to Nicotinic acid benzyl ester.

Sources

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