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90086-88-7 | 3-ETHYL-6-METHYL-1,2-DIHYDROPYRIDIN-2-ONE
CAS No: 90086-88-7 Catalog No: AG00GRYV MDL No:MFCD09065036
Product Description
Catalog Number:
AG00GRYV
Chemical Name:
3-ETHYL-6-METHYL-1,2-DIHYDROPYRIDIN-2-ONE
CAS Number:
90086-88-7
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD09065036
IUPAC Name:
3-ethyl-6-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C8H11NO/c1-3-7-5-4-6(2)9-8(7)10/h4-5H,3H2,1-2H3,(H,9,10)
InChI Key:
NHYGCOYUWGZZQX-UHFFFAOYSA-N
SMILES:
CCc1ccc(nc1O)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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