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41536-78-1 | 1,3(2H,4H)-Isoquinolinedione dioxime
CAS No: 41536-78-1 Catalog No: AG00CX5W MDL No:
Product Description
Catalog Number:
AG00CX5W
Chemical Name:
1,3(2H,4H)-Isoquinolinedione dioxime
CAS Number:
41536-78-1
IUPAC Name:
N-[3-(hydroxyamino)-4H-isoquinolin-1-ylidene]hydroxylamine
InChI:
InChI=1S/C9H9N3O2/c13-11-8-5-6-3-1-2-4-7(6)9(10-8)12-14/h1-4,13-14H,5H2,(H,10,11,12)
InChI Key:
MDULFKCMZSNBSY-UHFFFAOYSA-N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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