Home Carboxys 3-cyano-1H-pyrazole-5-carboxylic acid

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

CAS No.:
1187361-13-2
Catalog Number:
AG0099NU
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
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Product Description
Catalog Number:
AG0099NU
Chemical Name:
3-cyano-1H-pyrazole-5-carboxylic acid
CAS Number:
1187361-13-2
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
MDL Number:
MFCD09036046
IUPAC Name:
3-cyano-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C5H3N3O2/c6-2-3-1-4(5(9)10)8-7-3/h1H,(H,7,8)(H,9,10)
InChI Key:
NTSMOUACTOCHOU-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]nc(c1)C(=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:
0.1  
Properties