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59576-26-0 | 1-(4-Methylpyridin-2-yl)ethanone
CAS No: 59576-26-0 Catalog No: AG003GAZ MDL No:MFCD01863638
Product Description
Catalog Number:
AG003GAZ
Chemical Name:
1-(4-Methylpyridin-2-yl)ethanone
CAS Number:
59576-26-0
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD01863638
IUPAC Name:
1-(4-methylpyridin-2-yl)ethanone
InChI:
InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
InChI Key:
HRVQMQWVGKYDCF-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)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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