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Home > Pyridines > 1211535-68-0
1211535-68-0 | 1-(5,6-Dimethylpyridin-3-yl)ethanone
CAS No: 1211535-68-0 Catalog No: AG01FL7N MDL No:
Product Description
Catalog Number:
AG01FL7N
Chemical Name:
1-(5,6-Dimethylpyridin-3-yl)ethanone
CAS Number:
1211535-68-0
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
1-(5,6-dimethylpyridin-3-yl)ethanone
InChI:
InChI=1S/C9H11NO/c1-6-4-9(8(3)11)5-10-7(6)2/h4-5H,1-3H3
InChI Key:
OKBQIMWZTMCYPB-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(c(c1)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:
1.3
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