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Home > Indoles and Oxindole > 1214-09-1
1214-09-1 | 1,1,2-Ethenetricarbonitrile,2-(1H-indol-3-yl)-
CAS No: 1214-09-1 Catalog No: AG007Q9F MDL No:
Product Description
Catalog Number:
AG007Q9F
Chemical Name:
1,1,2-Ethenetricarbonitrile,2-(1H-indol-3-yl)-
CAS Number:
1214-09-1
Molecular Formula:
C13H6N4
Molecular Weight:
218.2135
IUPAC Name:
2-(1H-indol-3-yl)ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C13H6N4/c14-5-9(6-15)11(7-16)12-8-17-13-4-2-1-3-10(12)13/h1-4,8,17H
InChI Key:
OXWKGNTUTLLMEW-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)c1c[nH]c2c1cccc2
NSC Number:
36587
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.219g/mol
Monoisotopic Mass:
218.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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