Home Nitriles 2,5-Dimethyl-1H-pyrrole-3-carbonitrile

2,5-Dimethyl-1H-pyrrole-3-carbonitrile

CAS No.:
26187-29-1
Catalog Number:
AG002S4G
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG002S4G
Chemical Name:
2,5-Dimethyl-1H-pyrrole-3-carbonitrile
CAS Number:
26187-29-1
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
MDL Number:
MFCD12923809
IUPAC Name:
2,5-dimethyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C7H8N2/c1-5-3-7(4-8)6(2)9-5/h3,9H,1-2H3
InChI Key:
BZSMKTGDBPDVAR-UHFFFAOYSA-N
SMILES:
N#Cc1cc([nH]c1C)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.069g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties