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29022-36-4 | Methanone, (1-oxido-3-pyridinyl)phenyl-
CAS No: 29022-36-4 Catalog No: AG002V8R MDL No:
Product Description
Catalog Number:
AG002V8R
Chemical Name:
Methanone, (1-oxido-3-pyridinyl)phenyl-
CAS Number:
29022-36-4
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
IUPAC Name:
(1-oxidopyridin-1-ium-3-yl)-phenylmethanone
InChI:
InChI=1S/C12H9NO2/c14-12(10-5-2-1-3-6-10)11-7-4-8-13(15)9-11/h1-9H
InChI Key:
IZKZWJNKWJHRGB-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)C(=O)c1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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