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2165-04-0

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Basic Information
CAS No.: 2165-04-0
Name: 2-METHYL-6-PHENYLPYRIDAZIN-3(2H)-ONE
Article Data: 4
Molecular Structure:
Molecular Structure of 2165-04-0 (2-METHYL-6-PHENYLPYRIDAZIN-3(2H)-ONE)
Formula: C11H10N2O
Molecular Weight: 186.213
Synonyms: 1-Methyl-3-phenyl-6-pyridazone;2-Methyl-6-phenylpyridazin-3(2H)-one;2-Methyl-6-phenyl-2,3-dihydropyridazin-3-one;
Density: 1.13 g/cm3
Boiling Point: 303.9 °C at 760 mmHg
Flash Point: 137.6 °C
PSA: 34.89000
LogP: 1.44730
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Specification

The 3(2H)-Pyridazinone,2-methyl-6-phenyl- with CAS registry number of 2165-04-0 is also known as 2-Methyl-6-phenyl-2,3-dihydropyridazin-3-one. The IUPAC name is 2-Methyl-6-phenylpyridazin-3-one. In addition, the formula is C11H10N2O and the molecular weight is 186.21.

Physical properties about this chemical are:(1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.56; (8)ACD/KOC (pH 7.4): 60.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 164.5 cm3; (16)Polarizability: 22.12×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 137.6 °C; (20)Enthalpy of Vaporization: 54.42 kJ/mol; (21)Boiling Point: 303.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000904 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C=C\C(=N/N1C)\c2ccccc2
2. InChI: InChI=1/C11H10N2O/c1-13-11(14)8-7-10(12-13)9-5-3-2-4-6-9/h2-8H,1H3
3. InChIKey: JDTHKPBNSQFPMC-UHFFFAOYAI
4. Std. InChI: InChI=1S/C11H10N2O/c1-13-11(14)8-7-10(12-13)9-5-3-2-4-6-9/h2-8H,1H3
5. Std. InChIKey: JDTHKPBNSQFPMC-UHFFFAOYSA-N