Home Nitriles 4-methyl-1H-pyrrole-3-carbonitrile

4-methyl-1H-pyrrole-3-carbonitrile

CAS No.:
40167-38-2
Catalog Number:
AG019ZKX
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
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Product Description
Catalog Number:
AG019ZKX
Chemical Name:
4-methyl-1H-pyrrole-3-carbonitrile
CAS Number:
40167-38-2
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD00967072
IUPAC Name:
4-methyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C6H6N2/c1-5-3-8-4-6(5)2-7/h3-4,8H,1H3
InChI Key:
XFDDOTKUCLKYAV-UHFFFAOYSA-N
SMILES:
Cc1c[nH]cc1C#N
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties