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Home > Pyridines > 180537-61-5
180537-61-5 | Benzenebutanamide, 4-methoxy-N-(6-methyl-2-pyridinyl)-α,γ-dioxo-
CAS No: 180537-61-5 Catalog No: AG002232 MDL No:
Product Description
Catalog Number:
AG002232
Chemical Name:
Benzenebutanamide, 4-methoxy-N-(6-methyl-2-pyridinyl)-α,γ-dioxo-
CAS Number:
180537-61-5
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
IUPAC Name:
4-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)-2,4-dioxobutanamide
InChI:
InChI=1S/C17H16N2O4/c1-11-4-3-5-16(18-11)19-17(22)15(21)10-14(20)12-6-8-13(23-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19,22)
InChI Key:
PJDFWTPHEIOQJM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC(=O)C(=O)Nc1cccc(n1)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.325g/mol
Monoisotopic Mass:
312.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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