CAS No.123696-01-5,5-METHOXYPYRIDAZIN-3(2H)-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123696-01-5
Name:	5-METHOXYPYRIDAZIN-3(2H)-ONE
Article Data:	5

Formula:	C₅H₆N₂O₂
Molecular Weight:	126.115
Synonyms:	4-Methoxy-1H-pyridazin-6-one;
EINECS:	200-001-2
Density:	1.3 g/cm³
Melting Point:	148-150 °C
Boiling Point:	363 °C at 760 mmHg
Flash Point:	173.3 °C
PSA:	54.98000
LogP:	-0.22150

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Specification

The 3(2H)-Pyridazinone, 5-methoxy-, with the CAS registry number of 123696-01-5, is also known as 5-Methoxypyridazin-3(2H)-one. This chemical's molecular formula is C₅H₆N₂O₂ and molecular weight is 126.11. What's more, its IUPAC name is 4-Methoxy-1H-pyridazin-6-one.

Physical properties about 3(2H)-Pyridazinone, 5-methoxy- are: (1)ACD/LogP: -0.65; (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: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.9 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 31.19 cm³; (13)Molar Volume: 96.5 cm³; (14)Surface Tension: 44.4 dyne/cm; (15)Density: 1.3 g/cm³; (16)Flash Point: 173.3 °C; (17)Enthalpy of Vaporization: 63.3 kJ/mol; (18)Boiling Point: 363 °C at 760 mmHg; (19)Vapour Pressure: 8.89E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(/OC)\C=N/N1
(2) InChI: InChI=1/C5H6N2O2/c1-9-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
(3) InChIKey: NRILSJUKEHQBLU-UHFFFAOYAC