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

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

CAS No.:
89831-43-6
Catalog Number:
AG01E7KU
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Product Description
Catalog Number:
AG01E7KU
Chemical Name:
5-ethoxy-1H-pyrazole-3-carboxylic acid
CAS Number:
89831-43-6
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD09835046
IUPAC Name:
3-ethoxy-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-2-11-5-3-4(6(9)10)7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key:
XJEVZVWMLSOJJV-UHFFFAOYSA-N
SMILES:
CCOc1cc(n[nH]1)C(=O)O
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties