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Home > Indoles and Oxindole > 173962-59-9
173962-59-9 | 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-5-methyl-
CAS No: 173962-59-9 Catalog No: AG001ZBM MDL No:
Product Description
Catalog Number:
AG001ZBM
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-hydroxy-5-methyl-
CAS Number:
173962-59-9
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
2-hydroxy-5-methylisoindole-1,3-dione
InChI:
InChI=1S/C9H7NO3/c1-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,13H,1H3
InChI Key:
HFZILYOGBNDBNK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)N(C2=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Kinetics of self-decomposition and hydrogen atom transfer reactions of substituted phthalimide N-oxyl radicals in acetic acid. | The Journal of organic chemistry 20050107 |
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