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13959-08-5 | 2(1H)-Pyridinone, 4-(acetyloxy)-6-methyl-
CAS No: 13959-08-5 Catalog No: AG001BBS MDL No:
Product Description
Catalog Number:
AG001BBS
Chemical Name:
2(1H)-Pyridinone, 4-(acetyloxy)-6-methyl-
CAS Number:
13959-08-5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
(2-methyl-6-oxo-1H-pyridin-4-yl) acetate
InChI:
InChI=1S/C8H9NO3/c1-5-3-7(12-6(2)10)4-8(11)9-5/h3-4H,1-2H3,(H,9,11)
InChI Key:
ZXJMDECXJMFVIZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(C)[nH]c(=O)c1
NSC Number:
117119
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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