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Home > Indoles and Oxindole > 6623-89-8
6623-89-8 | 2-(2-oxoindolin-3-ylidene)malononitrile
CAS No: 6623-89-8 Catalog No: AG0197P6 MDL No:MFCD00175750
Product Description
Catalog Number:
AG0197P6
Chemical Name:
2-(2-oxoindolin-3-ylidene)malononitrile
CAS Number:
6623-89-8
Molecular Formula:
C11H5N3O
Molecular Weight:
195.1769
MDL Number:
MFCD00175750
IUPAC Name:
2-(2-oxo-1H-indol-3-ylidene)propanedinitrile
InChI:
InChI=1S/C11H5N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4H,(H,14,15)
InChI Key:
IXRCJYBQPZJHRZ-UHFFFAOYSA-N
SMILES:
N#CC(=C1C(=O)Nc2c1cccc2)C#N
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.181g/mol
Monoisotopic Mass:
195.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 5'-Amino-2-oxo-2',3'-dihydro-spiro-[indoline-3,7'-thieno[3,2-b]pyran]-6'-carbonitrile 1',1'-dioxide. | Acta crystallographica. Section E, Structure reports online 20100901 |
| Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases. | Journal of medicinal chemistry 19910601 |
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