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16115-08-5 | 2(1H)-Pyridinone, 4,6-dimethyl-
CAS No: 16115-08-5 Catalog No: AG001S7T MDL No:MFCD00082634
Product Description
Catalog Number:
AG001S7T
Chemical Name:
2(1H)-Pyridinone, 4,6-dimethyl-
CAS Number:
16115-08-5
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00082634
IUPAC Name:
4,6-dimethyl-1H-pyridin-2-one
InChI:
InChI=1S/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
InChI Key:
FSPIBFKGESGOLU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[nH]c(=O)c1
NSC Number:
16613
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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