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190906-91-3 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, phenylmethyl ester
CAS No: 190906-91-3 Catalog No: AG002EWK MDL No:
Product Description
Catalog Number:
AG002EWK
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, phenylmethyl ester
CAS Number:
190906-91-3
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChI Key:
CZZXYDLQRNIZGZ-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C=CN1C(=O)OCc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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