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2457-50-3 | Ethanone, 1-(1-oxido-2-pyridinyl)-
CAS No: 2457-50-3 Catalog No: AG002OLT MDL No:
Product Description
Catalog Number:
AG002OLT
Chemical Name:
Ethanone, 1-(1-oxido-2-pyridinyl)-
CAS Number:
2457-50-3
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
IUPAC Name:
1-(1-oxidopyridin-1-ium-2-yl)ethanone
InChI:
InChI=1S/C7H7NO2/c1-6(9)7-4-2-3-5-8(7)10/h2-5H,1H3
InChI Key:
VHZYBRINFLDXLR-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc[n+]1[O-]
EC Number:
607-404-1
NSC Number:
358369
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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