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188630-95-7

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Basic Information
CAS No.: 188630-95-7
Name: Methanone, 3-pyridazinyl-3-pyridinyl-
Molecular Structure:
Molecular Structure of 188630-95-7 (Methanone, 3-pyridazinyl-3-pyridinyl-)
Formula: C10H7N3O
Molecular Weight: 185.185
Synonyms: Pyridazin-3-yl-pyridin-3-yl-methanone;
Density: 1.258 g/cm3
Boiling Point: 414.313 °C at 760 mmHg
Flash Point: 206.163 °C
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    3-pyridazinyl(3-pyridinyl)methanone

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Specification

The Methanone, 3-pyridazinyl-3-pyridinyl-, with the CAS registry number of 188630-95-7, is also known as Pyridazin-3-yl-pyridin-3-yl-methanone. Its molecular formula is C10H7N3O and molecular weight is 185.185. What's more, its systematic name is Pyridazin-3-yl(pyridin-3-yl)methanone.

Physical properties about the Methanone, 3-pyridazinyl-3-pyridinyl- are: (1)ACD/LogP: 0.31; (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): 6; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.74 Å2; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 50.32 cm3; (13)Molar Volume: 147.22 cm3; (14)Surface Tension: 59.777 dyne/cm; (15)Density: 1.258 g/cm3; (16)Flash Point: 206.163 °C; (17)Enthalpy of Vaporization: 66.722 kJ/mol; (18)Boiling Point: 414.313 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccnc1)c2nnccc2
(2) InChI: InChI=1/C10H7N3O/c14-10(8-3-1-5-11-7-8)9-4-2-6-12-13-9/h1-7H
(3) InChIKey: SVDVBUWBKQMMNL-UHFFFAOYAG