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89652-59-5 | 2(1H)-Pyridinone, 3,6-dihydro-6-methyl-
CAS No: 89652-59-5 Catalog No: AG00465U MDL No:
Product Description
Catalog Number:
AG00465U
Chemical Name:
2(1H)-Pyridinone, 3,6-dihydro-6-methyl-
CAS Number:
89652-59-5
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
2-methyl-2,5-dihydro-1H-pyridin-6-one
InChI:
InChI=1S/C6H9NO/c1-5-3-2-4-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8)
InChI Key:
VGVYIZZUPCTLRN-UHFFFAOYSA-N
SMILES:
CC1NC(=O)CC=C1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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