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156779-10-1 | 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo-1-(phenylmethyl)-, methyl ester
CAS No: 156779-10-1 Catalog No: AG001OZ2 MDL No:MFCD18651682
Product Description
Catalog Number:
AG001OZ2
Chemical Name:
3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo-1-(phenylmethyl)-, methyl ester
CAS Number:
156779-10-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD18651682
IUPAC Name:
methyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-18-14(17)12-7-8-13(16)15(10-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChI Key:
MDGYQYIBDUHPHC-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CN(C(=O)CC1)Cc1ccccc1
Properties
Complexity:
356
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:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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