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CAS No.: | 74557-73-6 |
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Name: | 6-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid |
Molecular Structure: | |
Formula: | C6H6N2O3 |
Molecular Weight: | 154.125 |
Synonyms: | 3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid |
EINECS: | 200-001-2 |
Density: | 1.52g/cm3 |
Melting Point: | 130 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 83.05000 |
LogP: | -0.22350 |
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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