Home Nitriles 5-Formyl-2-methyl-1H-pyrrole-3-carbonitrile

5-Formyl-2-methyl-1H-pyrrole-3-carbonitrile

CAS No.:
858448-84-7
Catalog Number:
AG00J2O6
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00J2O6
Chemical Name:
5-Formyl-2-methyl-1H-pyrrole-3-carbonitrile
CAS Number:
858448-84-7
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD19300803
IUPAC Name:
5-formyl-2-methyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C7H6N2O/c1-5-6(3-8)2-7(4-10)9-5/h2,4,9H,1H3
InChI Key:
FRXUWJXZXMZNAL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c([nH]1)C)C#N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties