200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 76017-87-3
76017-87-3 | 1H-Indole-2-acetonitrile,a-methyl-
CAS No: 76017-87-3 Catalog No: AG005SEJ MDL No:
Product Description
Catalog Number:
AG005SEJ
Chemical Name:
1H-Indole-2-acetonitrile,a-methyl-
CAS Number:
76017-87-3
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-(1H-indol-2-yl)propanenitrile
InChI:
InChI=1S/C11H10N2/c1-8(7-12)11-6-9-4-2-3-5-10(9)13-11/h2-6,8,13H,1H3
InChI Key:
UGPRHWJHDKGZJI-UHFFFAOYSA-N
SMILES:
N#CC(c1cc2c([nH]1)cccc2)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Structural characterization and regiochemical differentiation of alpha-cyanoethylindole isomers in the gas phase. | Journal of the American Society for Mass Spectrometry 20050301 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.