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69386-99-8 | 1,4-Benzenedicarboxaldehyde, dioxime, (E,E)-
CAS No: 69386-99-8 Catalog No: AG006006 MDL No:
Product Description
Catalog Number:
AG006006
Chemical Name:
1,4-Benzenedicarboxaldehyde, dioxime, (E,E)-
CAS Number:
69386-99-8
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
N-[[4-(hydroxyiminomethyl)phenyl]methylidene]hydroxylamine
InChI:
InChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H
InChI Key:
UFJKQCPYFKAUEO-UHFFFAOYSA-N
SMILES:
O/N=C/c1ccc(cc1)/C=N/O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.8
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