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6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

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Name

6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

EINECS 200-001-2
CAS No. 74557-73-6 Density 1.52g/cm3
PSA 83.05000 LogP -0.22350
Solubility N/A Melting Point 130 °C
Formula C6H6N2O3 Boiling Point N/A
Molecular Weight 154.125 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 74557-73-6 (6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid) Hazard Symbols Xn
Synonyms

3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid

 

6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid Specification

The 6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid with cas registry number of 74557-73-6, belongs to the following product categories: (1)Carboxylic Acids; (2)Pyrazines, Pyrimidines & Pyridazines; (3)Building Blocks; (4)Pyridazine; (5)Carboxylic Acids; (6)Pyrazines, Pyrimidines & Pyridazines. Its systematic name is 6-methyl-3-oxo-2H-pyridazine-4-carboxylic acid. And its IUPAC name is 3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 78.76 Å2; (6)Index of Refraction: 1.634; (7)Molar Refractivity: 36.12 cm3; (8)Molar Volume: 100.9 cm3; (9)Polarizability: 14.32×10-24cm3; (10)Surface Tension: 59.4 dyne/cm.

You can still convert the following datas into molecular structure: 
(1)SMILES:O=C(O)\C1=CC(/C)=N\NC1=O;
(2)InChI:InChI=1/C6H6N2O3/c1-3-2-4(6(10)11)5(9)8-7-3/h2H,1H3,(H,8,9)(H,10,11);
(3)InChIKey:MHYFUPKDKSSFRZ-UHFFFAOYAY;
(4)Std. InChI:InChI=1S/C6H6N2O3/c1-3-2-4(6(10)11)5(9)8-7-3/h2H,1H3,(H,8,9)(H,10,11);
(5)Std. InChIKey:MHYFUPKDKSSFRZ-UHFFFAOYSA-N

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