Home Carboxys 4-cyano-1H-pyrazole-5-carboxylic acid

4-cyano-1H-pyrazole-5-carboxylic acid

CAS No.:
1045733-76-3
Catalog Number:
AG01DX96
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DX96
Chemical Name:
4-cyano-1H-pyrazole-5-carboxylic acid
CAS Number:
1045733-76-3
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
MDL Number:
MFCD28633861
IUPAC Name:
4-cyano-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C5H3N3O2/c6-1-3-2-7-8-4(3)5(9)10/h2H,(H,7,8)(H,9,10)
InChI Key:
AAXCTCRAEHZVHJ-UHFFFAOYSA-N
SMILES:
N#Cc1cn[nH]c1C(=O)O
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
137.098g/mol
Monoisotopic Mass:
137.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties