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Home > Indoles and Oxindole > 66341-32-0
66341-32-0 | 1H-Isoindole-1,3(2H)-dione, 4,7-dihydroxy-, dioxime
CAS No: 66341-32-0 Catalog No: AG006NA0 MDL No:
Product Description
Catalog Number:
AG006NA0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,7-dihydroxy-, dioxime
CAS Number:
66341-32-0
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
IUPAC Name:
1-(hydroxyamino)-3-nitroso-2H-isoindole-4,7-diol
InChI:
InChI=1S/C8H7N3O4/c12-3-1-2-4(13)6-5(3)7(10-14)9-8(6)11-15/h1-2,9-10,12-14H
InChI Key:
SJBWUHOJAOPIFK-UHFFFAOYSA-N
SMILES:
ON=C1NC(=NO)c2c1c(O)ccc2O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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