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Home > Indoles and Oxindole > 76397-72-3
76397-72-3 | 3-(2-Methyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS No: 76397-72-3 Catalog No: AG005CBM MDL No:MFCD02330570
Product Description
Catalog Number:
AG005CBM
Chemical Name:
3-(2-Methyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS Number:
76397-72-3
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD02330570
IUPAC Name:
3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C12H10N2O/c1-8-12(11(15)6-7-13)9-4-2-3-5-10(9)14-8/h2-5,14H,6H2,1H3
InChI Key:
WUECABRAWUKURJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Applications of 2-arylhydrazononitriles in synthesis: preparation of new indole containing 1,2,3-triazole, pyrazole and pyrazolo[1,5-a]pyrimidine derivatives and evaluation of their antimicrobial activities. | European journal of medicinal chemistry 20110501 |
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