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5308-63-4 | 1-(5-Methylpyridin-2-yl)ethanone
CAS No: 5308-63-4 Catalog No: AG003GB2 MDL No:MFCD06658292
Product Description
Catalog Number:
AG003GB2
Chemical Name:
1-(5-Methylpyridin-2-yl)ethanone
CAS Number:
5308-63-4
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD06658292
IUPAC Name:
1-(5-methylpyridin-2-yl)ethanone
InChI:
InChI=1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3
InChI Key:
SBFBKLLKNHMBOH-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)C(=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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