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79926-01-5 | 1-(3,6-Dimethylpyridin-2-yl)ethanone
CAS No: 79926-01-5 Catalog No: AG005F6L MDL No:MFCD18254420
Product Description
Catalog Number:
AG005F6L
Chemical Name:
1-(3,6-Dimethylpyridin-2-yl)ethanone
CAS Number:
79926-01-5
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD18254420
IUPAC Name:
1-(3,6-dimethylpyridin-2-yl)ethanone
InChI:
InChI=1S/C9H11NO/c1-6-4-5-7(2)10-9(6)8(3)11/h4-5H,1-3H3
InChI Key:
NSCQDMOBBRXRGG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(n1)C(=O)C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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