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Home > Indoles and Oxindole > 115953-80-5
115953-80-5 | 1H-Isoindole-5-sulfonic acid, 2,3-dihydro-1,3-dioxo-
CAS No: 115953-80-5 Catalog No: AG000H83 MDL No:
Product Description
Catalog Number:
AG000H83
Chemical Name:
1H-Isoindole-5-sulfonic acid, 2,3-dihydro-1,3-dioxo-
CAS Number:
115953-80-5
Molecular Formula:
C8H5NO5S
Molecular Weight:
227.1940
IUPAC Name:
1,3-dioxoisoindole-5-sulfonic acid
InChI:
InChI=1S/C8H5NO5S/c10-7-5-2-1-4(15(12,13)14)3-6(5)8(11)9-7/h1-3H,(H,9,10,11)(H,12,13,14)
InChI Key:
VOKGETOTKWMDKG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc(cc2)S(=O)(=O)O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.19g/mol
Monoisotopic Mass:
226.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Concerted chemical and microbial degradation of sulfophthalimides formed from sulfophthalocyanine dyes by white-rot fungi. | Environmental science & technology 20011201 |
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