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25128-35-2 | 1H-Indole-7-carboxylic acid, 2,3-dihydro-2,3-dioxo-
CAS No: 25128-35-2 Catalog No: AG002QKK MDL No:MFCD00612492
Product Description
Catalog Number:
AG002QKK
Chemical Name:
1H-Indole-7-carboxylic acid, 2,3-dihydro-2,3-dioxo-
CAS Number:
25128-35-2
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD00612492
IUPAC Name:
2,3-dioxo-1H-indole-7-carboxylic acid
InChI:
InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChI Key:
ROODQCZSWXEDJL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1NC(=O)C2=O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | Journal of medicinal chemistry 20070419 |
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