Home Nitriles 2-(4-methyl-1H-indol-3-yl)acetonitrile

2-(4-methyl-1H-indol-3-yl)acetonitrile

CAS No.:
23084-32-4
Catalog Number:
AG01AAIL
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
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Product Description
Catalog Number:
AG01AAIL
Chemical Name:
2-(4-methyl-1H-indol-3-yl)acetonitrile
CAS Number:
23084-32-4
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD09954796
IUPAC Name:
2-(4-methyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2/c1-8-3-2-4-10-11(8)9(5-6-12)7-13-10/h2-4,7,13H,5H2,1H3
InChI Key:
WRDDIXMDIVLTHH-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(C)ccc2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties