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110835-84-2

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Basic Information
CAS No.: 110835-84-2
Name: (1R,2R)-1,2-Dihydrotriphenylene-1,2-diol
Article Data: 4
Molecular Structure:
Molecular Structure of 110835-84-2 ((1R,2R)-1,2-Dihydrotriphenylene-1,2-diol)
Formula: C18H14O2
Molecular Weight: 262.3026
Synonyms: 1,2-Triphenylenediol, 1,2-dihydro-, trans-;
Density: 1.367 g/cm3
Boiling Point: 525.2 °C at 760 mmHg
Flash Point: 257.2 °C
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Specification

The IUPAC name of this product is (1R,2R)-1,2-Dihydrotriphenylene-1,2-diol, and its CAS registry number is 110835-84-2. It is also named as 1,2-Triphenylenediol, 1,2-dihydro-, trans-. The molecular formula of this chemical is C18H14O2 and its molecular weight is 262.3026.

Physical properties about (1R,2R)-1,2-Dihydrotriphenylene-1,2-diol are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.793; (8)Molar Refractivity: 81.5 cm3; (9)Molar Volume: 191.7 cm3; (10)Polarizability: 32.31×10-24 cm3; (11)Surface Tension: 65.7 dyne/cm; (12)Density: 1.367 g/cm3; (13)Flash Point: 257.2 °C; (14)Enthalpy of Vaporization: 84.14 kJ/mol; (15)Boiling Point: 525.2 °C at 760 mmHg; (16)Vapour Pressure: 7.35E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]4/C=C\c2c(c1ccccc1c3c2cccc3)[C@H]4O
(2) InChI: InChI=1/C18H14O2/c19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20/h1-10,16,18-20H/t16-,18+/m1/s1
(3) InChIKey: BSKBIHOSMNFDAS-AEFFLSMTBC