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Home > Indoles and Oxindole > 141621-80-9
141621-80-9 | 1H-Indole-3-acetonitrile, 2-ethenyl-
CAS No: 141621-80-9 Catalog No: AG001GOW MDL No:
Product Description
Catalog Number:
AG001GOW
Chemical Name:
1H-Indole-3-acetonitrile, 2-ethenyl-
CAS Number:
141621-80-9
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
2-(2-ethenyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C12H10N2/c1-2-11-10(7-8-13)9-5-3-4-6-12(9)14-11/h2-6,14H,1,7H2
InChI Key:
XVFXRPMBSBRKGC-UHFFFAOYSA-N
SMILES:
N#CCc1c(C=C)[nH]c2c1cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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