Home Carboxys 3-(Ethoxycarbonyl)-1H-pyrazole-5-carboxylic acid

3-(Ethoxycarbonyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
1401562-12-6
Catalog Number:
AG00HVRH
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
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Product Description
Catalog Number:
AG00HVRH
Chemical Name:
3-(Ethoxycarbonyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
1401562-12-6
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD21332838
IUPAC Name:
5-ethoxycarbonyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-2-13-7(12)5-3-4(6(10)11)8-9-5/h3H,2H2,1H3,(H,8,9)(H,10,11)
InChI Key:
SUQSZNZPCNIEFJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties