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57470-54-9

Basic Information
CAS No.: 57470-54-9
Name: 6-HYDROXYIMIDAZO[1,2-B]PYRIDAZINE
Molecular Structure:
Molecular Structure of 57470-54-9 (6-HYDROXYIMIDAZO[1,2-B]PYRIDAZINE)
Formula: C6H5N3O
Molecular Weight: 135.12
Synonyms: 6-Hydroxyimidazo[1,2-b]pyridazine;
Density: 1.51g/cm3
Hazard Symbols: Xn
Risk Codes: 43
Safety: 36/37
PSA: 50.42000
LogP: 0.43490
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Specification

The 6-Hydroxyimidazo[1,2-b]pyridazine, with cas registry number 57470-54-9, has the systematic name of imidazo[1,2-b]pyridazin-6(5H)-one. And its IUPAC name is 5H-imidazo[1,2-b]pyridazin-6-one. And the chemical formula of this chemical is C6H5N3O.

Physical properties about this chemical are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.81; (8)ACD/KOC (pH 7.4): 24.8; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.92 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 36.01 cm3; (15)Molar Volume: 89.4 cm3; (16)Polarizability: 14.27×10-24cm3; (17)Surface Tension: 66.8 dyne/cm.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C1\C=C/c2nccn2N1
(2)InChI: InChI=1/C6H5N3O/c10-6-2-1-5-7-3-4-9(5)8-6/h1-4H,(H,8,10)
(3)InChIKey: JPMJNVODBLZHLR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H5N3O/c10-6-2-1-5-7-3-4-9(5)8-6/h1-4H,(H,8,10)
(5)Std. InChIKey: JPMJNVODBLZHLR-UHFFFAOYSA-N