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Home > Indoles and Oxindole > 15540-90-6
15540-90-6 | 1H-Indole-2,3-dione, 4,7-dimethyl-
CAS No: 15540-90-6 Catalog No: AG001NVZ MDL No:MFCD00047217
Product Description
Catalog Number:
AG001NVZ
Chemical Name:
1H-Indole-2,3-dione, 4,7-dimethyl-
CAS Number:
15540-90-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00047217
IUPAC Name:
4,7-dimethyl-1H-indole-2,3-dione
InChI:
InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
VYRDPBOVRAVNKT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1C(=O)C(=O)N2)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | Journal of medicinal chemistry 20070419 |
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