1H-Pyrazole-3,5-dicarboxylic acid


Chemical Name: 1H-Pyrazole-3,5-dicarboxylic acid
CAS Number: 3112-31-0
Product Number: AG003269(AGN-PC-0JLQ42)
Synonyms:
MDL No:
Molecular Formula: C5H4N2O4
Molecular Weight: 156.0963

Identification/Properties


Properties
MP:
292-295 °C (dec.)(lit.)
BP:
390°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
156.097g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
156.017g/mol
Monoisotopic Mass:
156.017g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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