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124424-97-1 | 3-Pyridinecarboxylic acid, pentadecyl ester
CAS No: 124424-97-1 Catalog No: AG000LYZ MDL No:
Product Description
Catalog Number:
AG000LYZ
Chemical Name:
3-Pyridinecarboxylic acid, pentadecyl ester
CAS Number:
124424-97-1
Molecular Formula:
C21H35NO2
Molecular Weight:
333.5081
IUPAC Name:
pentadecyl pyridine-3-carboxylate
InChI:
InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-21(23)20-16-15-17-22-19-20/h15-17,19H,2-14,18H2,1H3
InChI Key:
DDAXSEWWNPAMQN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCOC(=O)c1cccnc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.267g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.516g/mol
Monoisotopic Mass:
333.267g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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