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The 3(2H)-Pyridazinone,5-methyl-6-phenyl- with CAS registry number of 33048-55-4 is also known as 5-Methyl-6-phenyl-2h-pyridazin-3-one. The systematic name is 5-Methyl-6-phenylpyridazin-3(2H)-one. In addition, the formula is C11H10N2O and the molecular weight is 186.21.
Physical properties about 3(2H)-Pyridazinone,5-methyl-6-phenyl- are:(1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.23; (6)ACD/BCF (pH 7.4): 9.22; (7)ACD/KOC (pH 5.5): 170.76; (8)ACD/KOC (pH 7.4): 170.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 54.91 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 21.76×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.17 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C=C(\C(=N/N1)\c2ccccc2)
2. InChI: InChI=1/C11H10N2O/c1-8-7-10(14)12-13-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14)
3. InChIKey: OUTZDCXYCPUJCP-UHFFFAOYAK
4. Std. InChI: InChI=1S/C11H10N2O/c1-8-7-10(14)12-13-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14)
5. Std. InChIKey: OUTZDCXYCPUJCP-UHFFFAOYSA-N