Home Carboxys 1H-Pyrrole-3-carboxylic acid, 5-cyano-

1H-Pyrrole-3-carboxylic acid, 5-cyano-

CAS No.:
1443980-62-8
Catalog Number:
AG00AO20
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
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Product Description
Catalog Number:
AG00AO20
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-cyano-
CAS Number:
1443980-62-8
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
MDL Number:
MFCD24842813
IUPAC Name:
5-cyano-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C6H4N2O2/c7-2-5-1-4(3-8-5)6(9)10/h1,3,8H,(H,9,10)
InChI Key:
UMRGIABRVCLTBF-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]cc(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