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Home > Indoles and Oxindole > 84575-27-9
84575-27-9 | 7-Methoxyindoline-2,3-dione
CAS No: 84575-27-9 Catalog No: AG003NGB MDL No:MFCD00666831
Product Description
Catalog Number:
AG003NGB
Chemical Name:
7-Methoxyindoline-2,3-dione
CAS Number:
84575-27-9
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00666831
IUPAC Name:
7-methoxy-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12)
InChI Key:
URXIUXOJSICGOD-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NC(=O)C2=O
Properties
Complexity:
251
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:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | Journal of medicinal chemistry 20070419 |
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