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3718-67-0 | 3,5-dimethyl-1,2-dihydropyridin-2-one
CAS No: 3718-67-0 Catalog No: AG01CAEO MDL No:MFCD16610912
Product Description
Catalog Number:
AG01CAEO
Chemical Name:
3,5-dimethyl-1,2-dihydropyridin-2-one
CAS Number:
3718-67-0
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD16610912
IUPAC Name:
3,5-dimethyl-1H-pyridin-2-one
InChI:
InChI=1S/C7H9NO/c1-5-3-6(2)7(9)8-4-5/h3-4H,1-2H3,(H,8,9)
InChI Key:
WAAZXEKEWCYLEE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c[nH]c1=O
UNII:
NS31CIE2HA
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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