3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, monohydrate


Chemical Name: 3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, monohydrate
CAS Number: 306934-80-5
Product Number: AG003N8I(AGN-PC-0KKWB7)
Synonyms:
MDL No: MFCD09258787
Molecular Formula: C5H6N2O4
Molecular Weight: 158.1121

Identification/Properties


Properties
MP:
265°C
BP:
441.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
158.113g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
158.033g/mol
Monoisotopic Mass:
158.033g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
241
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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