The 2,7-Dimethylanthracene, with the CAS registry number 782-23-0, is also known as Anthracene, 2,7-dimethyl-. Its EINECS registry number is 212-312-6. This chemical's molecular formula is C16H14 and molecular weight is 206.28. Its systematic name is called 2,7-dimethylanthracene.
Physical properties of 2,7-Dimethylanthracene: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.6; (5)ACD/BCF (pH 5.5): 10613.87; (6)ACD/BCF (pH 7.4): 10613.87; (7)ACD/KOC (pH 5.5): 26503.9; (8)ACD/KOC (pH 7.4): 26503.9; (9)Index of Refraction: 1.676; (10)Molar Refractivity: 71.58 cm3; (11)Molar Volume: 190.2 cm3; (12)Surface Tension: 44.1 dyne/cm; (13)Density: 1.084 g/cm3; (14)Flash Point: 168.4 °C; (15)Enthalpy of Vaporization: 59.22 kJ/mol; (16)Boiling Point: 369.6 °C at 760 mmHg; (17)Vapour Pressure: 2.49E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c3(ccc2cc1ccc(cc1cc2c3)C)C
(2)InChI: InChI=1/C16H14/c1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11/h3-10H,1-2H3
(3)InChIKey: CFDDCSMNZFPVTH-UHFFFAOYAR
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