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3256-89-1

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Basic Information
CAS No.: 3256-89-1
Name: 2-METHYL-3-PHENYLPYRIDINE
Article Data: 15
Molecular Structure:
Molecular Structure of 3256-89-1 (2-METHYL-3-PHENYLPYRIDINE)
Formula: C12H11N
Molecular Weight: 169.226
Synonyms: 2-Picoline,3-phenyl- (6CI,7CI,8CI);2-Methyl-3-phenylpyridine;3-Phenyl-2-picoline;
Density: 1.03 g/cm3
Boiling Point: 266.1 °C at 760 mmHg
Flash Point: 108.1 °C
PSA: 12.89000
LogP: 3.05700
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Specification

The Pyridine,2-methyl-3-phenyl-, with the CAS registry number 3256-89-1, is also known as 3-Phenyl-2-picoline. This chemical's molecular formula is C12H11N and molecular weight is 169.22. What's more, its systematic name is 2-methyl-3-phenylpyridine.

Physical properties of Pyridine,2-methyl-3-phenyl- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.851; (4)ACD/LogD (pH 7.4): 3.181; (5)ACD/BCF (pH 5.5): 71.827; (6)ACD/BCF (pH 7.4): 153.422; (7)ACD/KOC (pH 5.5): 595.471; (8)ACD/KOC (pH 7.4): 1271.919; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 53.761 cm3; (15)Molar Volume: 164.217 cm3; (16)Polarizability: 21.312×10-24cm3; (17)Surface Tension: 39.784 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 108.088 °C; (20)Enthalpy of Vaporization: 48.374 kJ/mol; (21)Boiling Point: 266.095 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cccn1)c2ccccc2
(2)InChI: InChI=1S/C12H11N/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11/h2-9H,1H3
(3)InChIKey: YLUZKERNKYNCLG-UHFFFAOYSA-N