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1011301-80-6 | 2-Pyridinecarboxylic acid, 5-(4-methylphenyl)-6-phenyl-, methyl ester
CAS No: 1011301-80-6 Catalog No: AG0003TC MDL No:
Product Description
Catalog Number:
AG0003TC
Chemical Name:
2-Pyridinecarboxylic acid, 5-(4-methylphenyl)-6-phenyl-, methyl ester
CAS Number:
1011301-80-6
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
methyl 5-(4-methylphenyl)-6-phenylpyridine-2-carboxylate
InChI:
InChI=1S/C20H17NO2/c1-14-8-10-15(11-9-14)17-12-13-18(20(22)23-2)21-19(17)16-6-4-3-5-7-16/h3-13H,1-2H3
InChI Key:
HHTJSCIRSQCPEX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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