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Home > Indoles and Oxindole > 79343-59-2
79343-59-2 | 2H-Indol-2-one, 1-acetyl-3-(dicyanomethylene)-1,3-dihydro-
CAS No: 79343-59-2 Catalog No: AG0059E0 MDL No:
Product Description
Catalog Number:
AG0059E0
Chemical Name:
2H-Indol-2-one, 1-acetyl-3-(dicyanomethylene)-1,3-dihydro-
CAS Number:
79343-59-2
Molecular Formula:
C13H7N3O2
Molecular Weight:
237.2136
IUPAC Name:
2-(1-acetyl-2-oxoindol-3-ylidene)propanedinitrile
InChI:
InChI=1S/C13H7N3O2/c1-8(17)16-11-5-3-2-4-10(11)12(13(16)18)9(6-14)7-15/h2-5H,1H3
InChI Key:
PNCFUWJDNSDQQX-UHFFFAOYSA-N
SMILES:
N#CC(=C1c2ccccc2N(C1=O)C(=O)C)C#N
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.218g/mol
Monoisotopic Mass:
237.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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