Home Carboxys 4,5-Dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

4,5-Dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

CAS No.:
71173-77-8
Catalog Number:
AG00FOXC
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
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Product Description
Catalog Number:
AG00FOXC
Chemical Name:
4,5-Dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
CAS Number:
71173-77-8
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
MDL Number:
MFCD11100077
IUPAC Name:
5-oxo-1,4-dihydropyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H2,(H,6,7)(H,8,9)
InChI Key:
YKJJEZSCAQDLOD-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1)C(=O)O
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.022g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
128.087g/mol
Monoisotopic Mass:
128.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties