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1122-62-9 | 1-(Pyridin-2-yl)ethanone
CAS No: 1122-62-9 Catalog No: AG003GBI MDL No:MFCD00006303
Product Description
Catalog Number:
AG003GBI
Chemical Name:
1-(Pyridin-2-yl)ethanone
CAS Number:
1122-62-9
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD00006303
IUPAC Name:
1-pyridin-2-ylethanone
InChI:
InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
InChI Key:
AJKVQEKCUACUMD-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccn1
EC Number:
214-355-6
UNII:
629O10UI3L
NSC Number:
15043
FEMA Number:
3251
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
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