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67640-43-1 | 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-
CAS No: 67640-43-1 Catalog No: AG005R1K MDL No:
Product Description
Catalog Number:
AG005R1K
Chemical Name:
1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-
CAS Number:
67640-43-1
Molecular Formula:
C8H6N4O6
Molecular Weight:
254.1564
IUPAC Name:
N-[[5-(hydroxyiminomethyl)-2,4-dinitrophenyl]methylidene]hydroxylamine
InChI:
InChI=1S/C8H6N4O6/c13-9-3-5-1-6(4-10-14)8(12(17)18)2-7(5)11(15)16/h1-4,13-14H
InChI Key:
MIVQDXLJUZCALX-UHFFFAOYSA-N
SMILES:
O/N=C/c1cc(/C=N/O)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.158g/mol
Monoisotopic Mass:
254.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1
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