Home Carboxys 4-Cyano-1h-pyrrole-2-carboxylic acid

4-Cyano-1h-pyrrole-2-carboxylic acid

CAS No.:
80242-24-6
Catalog Number:
AG005NL1
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$182
- +
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG005NL1
Chemical Name:
4-Cyano-1h-pyrrole-2-carboxylic acid
CAS Number:
80242-24-6
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
MDL Number:
MFCD09991904
IUPAC Name:
4-cyano-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H4N2O2/c7-2-4-1-5(6(9)10)8-3-4/h1,3,8H,(H,9,10)
InChI Key:
SAEZQFNKTQKVSM-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(c1)C(=O)O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties