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Home > Indoles and Oxindole > 849691-33-4
849691-33-4 | 1H-Indolium, 1-(cyanomethylene)-3-methyl-
CAS No: 849691-33-4 Catalog No: AG0052EQ MDL No:
Product Description
Catalog Number:
AG0052EQ
Chemical Name:
1H-Indolium, 1-(cyanomethylene)-3-methyl-
CAS Number:
849691-33-4
Molecular Formula:
C11H9N2+
Molecular Weight:
169.2026
IUPAC Name:
2-(3-methylindol-1-ium-1-ylidene)acetonitrile
InChI:
InChI=1S/C11H9N2/c1-9-8-13(7-6-12)11-5-3-2-4-10(9)11/h2-5,7-8H,1H3/q+1
InChI Key:
GXLWYBJKIQUXTB-UHFFFAOYSA-N
SMILES:
N#CC=[N+]1C=C(c2c1cccc2)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.077g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.207g/mol
Monoisotopic Mass:
169.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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