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88302-12-9 | 2(1H)-Pyridinone, 6-methyl-5-(1-oxopropyl)-
CAS No: 88302-12-9 Catalog No: AG0048QI MDL No:
Product Description
Catalog Number:
AG0048QI
Chemical Name:
2(1H)-Pyridinone, 6-methyl-5-(1-oxopropyl)-
CAS Number:
88302-12-9
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
6-methyl-5-propanoyl-1H-pyridin-2-one
InChI:
InChI=1S/C9H11NO2/c1-3-8(11)7-4-5-9(12)10-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChI Key:
GWCNLYWJTUWLAR-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(=O)[nH]c1C
Properties
Complexity:
287
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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