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Home > Imidazoles > 88252-30-6
88252-30-6 | 1H-Imidazole, 1-[(1,4-dihydro-6-methyl-4-oxo-3-pyridinyl)carbonyl]-
CAS No: 88252-30-6 Catalog No: AG004AXW MDL No:
Product Description
Catalog Number:
AG004AXW
Chemical Name:
1H-Imidazole, 1-[(1,4-dihydro-6-methyl-4-oxo-3-pyridinyl)carbonyl]-
CAS Number:
88252-30-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
5-(imidazole-1-carbonyl)-2-methyl-1H-pyridin-4-one
InChI:
InChI=1S/C10H9N3O2/c1-7-4-9(14)8(5-12-7)10(15)13-3-2-11-6-13/h2-6H,1H3,(H,12,14)
InChI Key:
ZHZUNLIIXRGGAX-UHFFFAOYSA-N
SMILES:
O=c1cc(C)[nH]cc1C(=O)n1cncc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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