Home Nitriles 2-(1,6-dimethyl-1H-indol-3-yl)acetonitrile

2-(1,6-dimethyl-1H-indol-3-yl)acetonitrile

CAS No.:
202584-15-4
Catalog Number:
AG01ACAM
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
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Product Description
Catalog Number:
AG01ACAM
Chemical Name:
2-(1,6-dimethyl-1H-indol-3-yl)acetonitrile
CAS Number:
202584-15-4
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD16250727
IUPAC Name:
2-(1,6-dimethylindol-3-yl)acetonitrile
InChI:
InChI=1S/C12H12N2/c1-9-3-4-11-10(5-6-13)8-14(2)12(11)7-9/h3-4,7-8H,5H2,1-2H3
InChI Key:
CSJNAAWEEITFLB-UHFFFAOYSA-N
SMILES:
N#CCc1cn(c2c1ccc(c2)C)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties