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6804-21-3 | 2-Quinoxalinecarboxaldehyde,oxime, 1,4-dioxide
CAS No: 6804-21-3 Catalog No: AG006100 MDL No:
Product Description
Catalog Number:
AG006100
Chemical Name:
2-Quinoxalinecarboxaldehyde,oxime, 1,4-dioxide
CAS Number:
6804-21-3
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
(NE)-N-[(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H7N3O3/c13-10-5-7-6-11(14)8-3-1-2-4-9(8)12(7)15/h1-6,13H/b10-5+
InChI Key:
UBQYCBVOJMEZDX-BJMVGYQFSA-N
SMILES:
ON=Cc1c[n+]([O-])c2c([n+]1[O-])cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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