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14188-94-4 | Ethanone, 1-(1-oxido-3-pyridinyl)-
CAS No: 14188-94-4 Catalog No: AG001HB5 MDL No:MFCD00955798
Product Description
Catalog Number:
AG001HB5
Chemical Name:
Ethanone, 1-(1-oxido-3-pyridinyl)-
CAS Number:
14188-94-4
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00955798
IUPAC Name:
1-(1-oxidopyridin-1-ium-3-yl)ethanone
InChI:
InChI=1S/C7H7NO2/c1-6(9)7-3-2-4-8(10)5-7/h2-5H,1H3
InChI Key:
AZFMFGIMDGBJRR-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)C(=O)C
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:
-0.6
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