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126378-73-2 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-, phenylmethyl ester
CAS No: 126378-73-2 Catalog No: AG000SPW MDL No:
Product Description
Catalog Number:
AG000SPW
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-, phenylmethyl ester
CAS Number:
126378-73-2
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
IUPAC Name:
benzyl 4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C19H17NO3/c21-17-11-12-20(18(13-17)16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-12,18H,13-14H2
InChI Key:
HTXHSSNSXZBPKU-UHFFFAOYSA-N
SMILES:
O=C1C=CN(C(C1)c1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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