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19261-03-1

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Basic Information
CAS No.: 19261-03-1
Name: [1,1-Biphenyl]-2,2,3,3-tetrol(9CI)
Article Data: 7
Molecular Structure:
Molecular Structure of 19261-03-1 ([1,1-Biphenyl]-2,2,3,3-tetrol(9CI))
Formula: C12H10O4
Molecular Weight: 218.2054
Synonyms: 2,2',3,3'-Biphenyltetrol(6CI,7CI,8CI);2,2',3,3'-Tetrahydroxybiphenyl;
Density: 1.47g/cm3
Melting Point: 220-222 °C (decomp)
Boiling Point: 450.4 °C at 760 mmHg
Flash Point: 227.3 °C
PSA: 80.92000
LogP: 2.17600
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Specification

The [1,1'-Biphenyl]-2,2',3,3'-tetrol, with the CAS registry number 19261-03-1, is also known as Biphenyl-2,2',3,3'-tetrol. It belongs to the product category of Biphenyl. This chemical's molecular formula is C12H10O4 and molecular weight is 218.2054. What's more, its IUPAC name is 3-(2,3-Dihydroxyphenyl)benzene-1,2-diol.

Physical properties about [1,1'-Biphenyl]-2,2',3,3'-tetrol: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 1.94; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 55.83; (8)ACD/KOC (pH 7.4): 53.02; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 58.37 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 23.14×10-24cm3; (17)Surface Tension: 77.6 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 227.3 °C; (20)Enthalpy of Vaporization: 73.65 kJ/mol; (21)Boiling Point: 450.4 °C at 760 mmHg; (22)Vapour Pressure: 9.93E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc2c(c1cccc(O)c1O)cccc2O
(2) InChI: InChI=1/C12H10O4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6,13-16H
(3) InChIKey: AIEZFWSIZQLXEG-UHFFFAOYAO