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CAS No.: | 37972-69-3 |
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Name: | 6-HYDROXY-3-PYRIDAZINECARBOXYLIC ACID MONOHYDRATE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C5H4N2O3 |
Molecular Weight: | 140.098 |
Synonyms: | 3-Hydroxypyridazine-6-carboxylicacid;6-Carboxy-3(2H)-pyridazinone;6-Hydroxy-3-pyridazinecarboxylic acid;6-Oxo-1,6-dihydro-3-pyridazinecarboxylic acid;NSC 203175; |
EINECS: | 220-753-0 |
Density: | 1.63 g/cm3 |
Melting Point: | 246 °C |
Boiling Point: | 518.5 °C at 760 mmHg |
Flash Point: | 267.4 °C |
PSA: | 92.54000 |
LogP: | -0.18390 |
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The 3-Pyridazinecarboxylicacid, 1,6-dihydro-6-oxo- is an organic compound with the formula C5H4N2O3. The systematic name of this chemical is 6-oxo-1,6-dihydropyridazine-3-carboxylic acid. With the CAS registry number 37972-69-3, it is also named as 6-Hydroxy-3-pyridazinecarboxylic Acid. The product's categories are Pyridazine Series; Pyridazine.
Physical properties about 3-Pyridazinecarboxylicacid, 1,6-dihydro-6-oxo- are: (1)ACD/LogP: -1.28; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 58.97 Å2; (10)Index of Refraction: 1.662; (11)Molar Refractivity: 31.69 cm3; (12)Molar Volume: 85.6 cm3; (13)Polarizability: 12.56×10-24cm3; (14)Surface Tension: 71.6 dyne/cm; (15)Density: 1.63 g/cm3; (16)Flash Point: 267.4 °C; (17)Enthalpy of Vaporization: 83.28 kJ/mol; (18)Boiling Point: 518.5 °C at 760 mmHg; (19)Vapour Pressure: 1.41E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C1=N/NC(=O)/C=C1
(2)InChI: InChI=1/C5H4N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H,(H,7,8)(H,9,10)
(3)InChIKey: GIFSROMQVPUQFK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H4N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H,(H,7,8)(H,9,10)
(5)Std. InChIKey: GIFSROMQVPUQFK-UHFFFAOYSA-N