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The 3(2H)-Pyridazinone, 6-(4-aminophenyl)- with CAS registry number of 24912-35-4 is also named 6-(4-Amino-phenyl)-2H-pyridazin-3-one. The systematic name is 6-(4-Aminophenyl)pyridazin-3(2H)-one. In addition, the formula is C10H9N3O and the molecular weight is 187.2.
Physical properties about this chemical are:(1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.32; (8)ACD/KOC (pH 7.4): 16.36; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.91Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 52.4 cm3; (15)Molar Volume: 140 cm3; (16)Polarizability: 20.77×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.33 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C=C\C(=N/N1)\c2ccc(N)cc2
2. InChI: InChI=1/C10H9N3O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,11H2,(H,13,14)
3. InChIKey: GOAZSGLSVJVOLX-UHFFFAOYAU
4. Std. InChI: InChI=1S/C10H9N3O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,11H2,(H,13,14)
5. Std. InChIKey: GOAZSGLSVJVOLX-UHFFFAOYSA-N