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18332-92-8 | 4(1H)-Pyridinone, 3-acetyl-2,6-dimethyl-
CAS No: 18332-92-8 Catalog No: AG0027IA MDL No:
Product Description
Catalog Number:
AG0027IA
Chemical Name:
4(1H)-Pyridinone, 3-acetyl-2,6-dimethyl-
CAS Number:
18332-92-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
3-acetyl-2,6-dimethyl-1H-pyridin-4-one
InChI:
InChI=1S/C9H11NO2/c1-5-4-8(12)9(7(3)11)6(2)10-5/h4H,1-3H3,(H,10,12)
InChI Key:
AICGJYQFHUWWHJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)[nH]c(cc1=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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