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25128-32-9 | 1H-Indole-5-carboxylic acid, 2,3-dihydro-2,3-dioxo-
CAS No: 25128-32-9 Catalog No: AG002QKL MDL No:MFCD00967204
Product Description
Catalog Number:
AG002QKL
Chemical Name:
1H-Indole-5-carboxylic acid, 2,3-dihydro-2,3-dioxo-
CAS Number:
25128-32-9
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD00967204
IUPAC Name:
2,3-dioxo-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H5NO4/c11-7-5-3-4(9(13)14)1-2-6(5)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChI Key:
SNPPWTIGLNZFRF-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)C(=O)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 |
|---|---|
| Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors. | Journal of medicinal chemistry 20060615 |
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