Home Carboxys 1-ethenyl-1H-pyrazole-5-carboxylic acid

1-ethenyl-1H-pyrazole-5-carboxylic acid

CAS No.:
899713-15-6
Catalog Number:
AG00H4HL
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
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Product Description
Catalog Number:
AG00H4HL
Chemical Name:
1-ethenyl-1H-pyrazole-5-carboxylic acid
CAS Number:
899713-15-6
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD01993070
IUPAC Name:
2-ethenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6N2O2/c1-2-8-5(6(9)10)3-4-7-8/h2-4H,1H2,(H,9,10)
InChI Key:
IADHRHJRSDCULU-UHFFFAOYSA-N
SMILES:
C=Cn1nccc1C(=O)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties