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18938-02-8 | 2(1H)-Pyridinone, 5,6-dihydro-4,6,6-trimethyl-
CAS No: 18938-02-8 Catalog No: AG002DMD MDL No:MFCD24549419
Product Description
Catalog Number:
AG002DMD
Chemical Name:
2(1H)-Pyridinone, 5,6-dihydro-4,6,6-trimethyl-
CAS Number:
18938-02-8
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD24549419
IUPAC Name:
2,2,4-trimethyl-1,3-dihydropyridin-6-one
InChI:
InChI=1S/C8H13NO/c1-6-4-7(10)9-8(2,3)5-6/h4H,5H2,1-3H3,(H,9,10)
InChI Key:
BTFPEDCOAZXSCZ-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)NC(C1)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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