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13129-67-4 | 1H-Indole-2,3-dione, 1-[(dimethylamino)methyl]-
CAS No: 13129-67-4 Catalog No: AG000VV5 MDL No:MFCD00455593
Product Description
Catalog Number:
AG000VV5
Chemical Name:
1H-Indole-2,3-dione, 1-[(dimethylamino)methyl]-
CAS Number:
13129-67-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD00455593
IUPAC Name:
1-[(dimethylamino)methyl]indole-2,3-dione
InChI:
InChI=1S/C11H12N2O2/c1-12(2)7-13-9-6-4-3-5-8(9)10(14)11(13)15/h3-6H,7H2,1-2H3
InChI Key:
QQWDVUJPHMCDTH-UHFFFAOYSA-N
SMILES:
CN(CN1c2ccccc2C(=O)C1=O)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Micellar effects on the alkaline hydrolysis of isatin and its derivatives. | Journal of colloid and interface science 20110515 |
| Hybrid pharmacophore design and synthesis of isatin-benzothiazole analogs for their anti-breast cancer activity. | Bioorganic & medicinal chemistry 20091101 |
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