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150708-76-2 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-2-(phenylmethyl)-, phenylmethyl ester
CAS No: 150708-76-2 Catalog No: AG001MSR MDL No:MFCD11975374
Product Description
Catalog Number:
AG001MSR
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-2-(phenylmethyl)-, phenylmethyl ester
CAS Number:
150708-76-2
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
MDL Number:
MFCD11975374
IUPAC Name:
benzyl 2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C20H19NO3/c22-19-11-12-21(18(14-19)13-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18H,13-15H2
InChI Key:
CPPWUCAZPYCXLB-UHFFFAOYSA-N
SMILES:
O=C1C=CN(C(C1)Cc1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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