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89246-58-2 | 2(1H)-Pyridinone, 6-hydroxy-3-(1-iminoethyl)-4-methyl-
CAS No: 89246-58-2 Catalog No: AG004267 MDL No:
Product Description
Catalog Number:
AG004267
Chemical Name:
2(1H)-Pyridinone, 6-hydroxy-3-(1-iminoethyl)-4-methyl-
CAS Number:
89246-58-2
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
5-ethanimidoyl-6-hydroxy-4-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C8H10N2O2/c1-4-3-6(11)10-8(12)7(4)5(2)9/h3,9H,1-2H3,(H2,10,11,12)
InChI Key:
AQZWIJLIQZBQEO-UHFFFAOYSA-N
SMILES:
Cc1cc(O)[nH]c(=O)c1C(=N)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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