CAS No.34122-01-5,Pyrimido[4,5-c]pyridazin-5(1H)-one (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34122-01-5
Name:	Pyrimido[4,5-c]pyridazin-5(1H)-one (9CI)
Article Data:	2

Formula:	C₆H₄N₄O
Molecular Weight:	148.124
Synonyms:	Pyrimido[4,5-c]pyridazin-5-ol;
Density:	1.68 g/cm³
Melting Point:	>300 °C
Boiling Point:	452.2 °C at 760 mmHg
Flash Point:	227.3 °C
PSA:	71.53000
LogP:	-0.28690

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Specification

The Pyrimido[4, 5-c]pyridazin-5(1H)-one, with the CAS registry number 34122-01-5, is also known as Pyrimido[4, 5-c]pyridazin-5-ol. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₆H₄N₄O and molecular weight is 148.12. What's more, its systematic name is Pyrimido[4, 5-c]pyridazin-5(8H)-one.

Physical properties about Pyrimido[4, 5-c]pyridazin-5(1H)-one are: (1)ACD/LogP: -2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.22; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 1.48; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.45 Å²; (13)Index of Refraction: 1.814; (14)Molar Refractivity: 38.16 cm³; (15)Molar Volume: 88.1 cm³; (16)Polarizability: 15.12×10^-24 cm³; (17)Surface Tension: 77 dyne/cm; (18)Density: 1.68 g/cm³; (19)Flash Point: 227.3 °C; (20)Enthalpy of Vaporization: 71.13 kJ/mol; (21)Boiling Point: 452.2 °C at 760 mmHg; (22)Vapour Pressure: 2.29E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/Nc1nnccc12
(2) InChI: InChI=1/C6H4N4O/c11-6-4-1-2-9-10-5(4)7-3-8-6/h1-3H,(H,7,8,10,11)
(3) InChIKey: ZZMFFWQHOSUHLW-UHFFFAOYAC