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CAS No.: | 5754-17-6 |
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Name: | 3,6-Dihydroxy-4,5-dimethylpyridazine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H8N2O2 |
Molecular Weight: | 140.14 |
Synonyms: | 3,6-Dihydroxy-4,5-dimethylpyridazine;NSC 50756;4,5-Dimethylpyridazine-3,6-diol; |
EINECS: | 1312995-182-4 |
Density: | 1.16 g/cm3 |
Melting Point: | 347-351 °C |
Boiling Point: | 422.4 °C at 760 mmHg |
Flash Point: | 209.3 °C |
Hazard Symbols: | T |
PSA: | 66.24000 |
LogP: | 0.50460 |
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The IUPAC name of 3,6-Pyridazinedione,1,2-dihydro-4,5-dimethyl- is 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione. With the CAS registry number 5754-17-6, it is also named as 3,6-Dihydroxy-4,5-dimethylpyridazine. The product's category is Pyridazine Series. In addition, its molecular formula is C6H8N2O2 and its molecular weight is 140.14.
The other characteristics of 3,6-Pyridazinedione,1,2-dihydro-4,5-dimethyl- can be summarized as: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 34.41 cm3; (13)Molar Volume: 120.7 cm3; (14)Polarizability: 13.64×10-24cm3; (15)Surface Tension: 32.1 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 209.3 °C; (18)Enthalpy of Vaporization: 70.28 kJ/mol; (19)Boiling Point: 422.4 °C at 760 mmHg; (20)Vapour Pressure: 9.83E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1/C(=C(\C(=O)NN1)C)C
(2)InChI: InChI=1/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
(3)InChIKey: QLFHLLQTPRTMLL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
(5)Std. InChIKey: QLFHLLQTPRTMLL-UHFFFAOYSA-N