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The 3-Pyridinol, 2, 4-dimethyl-, with the CAS registry number 27296-76-0, is also known as 2, 4-Dimethyl-3-pyridinol. It belongs to the product category of Pyridines. This chemical's molecular formula is C7H9NO and molecular weight is 123.15. What's more, its systematic name is 2, 4-Dimethylpyridin-3-ol. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Pyridinol, 2, 4-dimethyl- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 50; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 35.876 cm3; (15)Molar Volume: 113.637 cm3; (16)Polarizability: 14.222×10-24 cm3; (17)Surface Tension: 43.431 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 132.459 °C; (20)Enthalpy of Vaporization: 55.654 kJ/mol; (21)Boiling Point: 295.409 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccnc(c1O)C
(2) InChI: InChI=1/C7H9NO/c1-5-3-4-8-6(2)7(5)9/h3-4,9H,1-2H3
(3) InChIKey: YOLWXYGTOQALFW-UHFFFAOYAQ