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20950-56-5

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Basic Information
CAS No.: 20950-56-5
Name: [1,1-Biphenyl]-3,3,5-triol(9CI)
Article Data: 5
Molecular Structure:
Molecular Structure of 20950-56-5 ([1,1-Biphenyl]-3,3,5-triol(9CI))
Formula: C12H10O3
Molecular Weight: 202.21
Synonyms: 3,3',5-Biphenyltriol(6CI,8CI);3,5,3'-Trihydroxybiphenyl;5-(3-Hydroxyphenyl)benzene-1,3-diol;
Density: 1.347 g/cm3
Boiling Point: 461 °C at 760 mmHg
Flash Point: 234.5 °C
PSA: 60.69000
LogP: 2.47040
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Specification

The 3,3',5-Trihydroxybiphenyl, with the CAS registry number 20950-56-5, is also known as Biphenyl-3,3',5-triol. It belongs to the product category of Biphenyl. This chemical's molecular formula is C12H10O3 and molecular weight is 202.21. What's more, its IUPAC name is called 5-(3-Hydroxyphenyl)benzene-1,3-diol.

Physical properties about 3,3',5-Trihydroxybiphenyl are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.68; (6)ACD/BCF (pH 7.4): 12.42; (7)ACD/KOC (pH 5.5): 214.35; (8)ACD/KOC (pH 7.4): 210; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 56.48 cm3; (15)Molar Volume: 150 cm3; (16)Surface Tension: 64.8 dyne/cm; (17)Density: 1.347 g/cm3; (18)Flash Point: 234.5 °C; (19)Enthalpy of Vaporization: 74.94 kJ/mol; (20)Boiling Point: 461 °C at 760 mmHg; (21)Vapour Pressure: 4.05E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc2cc(c1cccc(O)c1)cc(O)c2
(2) InChI: InChI=1S/C12H10O3/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-7,13-15H
(3) InChIKey: ZWJMMZAKZQPIHD-UHFFFAOYSA-N