Home Nitriles 4-Formyl-1H-pyrrole-2-carbonitrile

4-Formyl-1H-pyrrole-2-carbonitrile

CAS No.:
66832-11-9
Catalog Number:
AG00J2P9
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG00J2P9
Chemical Name:
4-Formyl-1H-pyrrole-2-carbonitrile
CAS Number:
66832-11-9
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD12923726
IUPAC Name:
4-formyl-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-2-6-1-5(4-9)3-8-6/h1,3-4,8H
InChI Key:
ALCKOBMBDNOFLG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)C#N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties