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Home > Indoles and Oxindole > 10487-31-7
10487-31-7 | 1H-Indole-2,3-dione,1-(1-methylethyl)-
CAS No: 10487-31-7 Catalog No: AG007G4I MDL No:MFCD00224231
Product Description
Catalog Number:
AG007G4I
Chemical Name:
1H-Indole-2,3-dione,1-(1-methylethyl)-
CAS Number:
10487-31-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00224231
IUPAC Name:
1-propan-2-ylindole-2,3-dione
InChI:
InChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3
InChI Key:
QBLFUHJXULERAQ-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)C(=O)c2c1cccc2)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Discovery and structure optimization of a series of isatin derivatives as Mycobacterium tuberculosis chorismate mutase inhibitors. | Chemical biology & drug design 20140401 |
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