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1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

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Name

1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

EINECS
CAS No. 100047-66-3 Density 1.44g/cm3
Solubility Melting Point
Formula C6H5N2O3 Boiling Point 316.5 °C at 760 mmHg
Molecular Weight 153.116 Flash Point 145.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 100047-66-3 (1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid) Hazard Symbols
Synonyms

1-methyl-6-oxopyridazine-3-carboxylate;

 

1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid Specification

The CAS registry number of 1-Methyl-6-oxo-pyridazine-3-carboxylate is 100047-66-3. This chemical's molecular formula is C6H5N2O3 and molecular weight is 153.116. What's more, its systematic name is called 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate.

Physical properties about 1-Methyl-6-oxo-pyridazine-3-carboxylate are: (1)ACD/LogP: -1.52; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.97 Å2; (7)Flash Point: 145.2 °C; (8)Enthalpy of Vaporization: 61.34 kJ/mol; (9)Boiling Point: 316.5 °C at 760 mmHg; (10)Vapour Pressure: 8.73E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C\C(=N/N1C)\C([O-])=O
(2) InChI: InChI=1/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)/p-1
(3) InChIKey: VSWNRKPYWTWWBV-REWHXWOFAY

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