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4084-45-1

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Basic Information
CAS No.: 4084-45-1
Name: [1,1':4',1''-Terphenyl]-4,4''-diol
Article Data: 15
Molecular Structure:
Molecular Structure of 4084-45-1 ([1,1':4',1''-Terphenyl]-4,4''-diol)
Formula: C18H14O2
Molecular Weight: 262.3
Synonyms: 4,4'-(1,4-phenylene)bis-;
Density: 1.209g/cm3
Melting Point: 375 °C
Boiling Point: 481.739 °C at 760 mmHg
Flash Point: 232.62 °C
PSA: 40.46000
LogP: 4.43180
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Specification

The [1,1':4',1''-Terphenyl]-4,4''-diol with cas registry number of 4084-45-1, has the systematic name of 1,1':4',1''-terphenyl-4,4''-diol. And it is also named 4,4'-(1,4-phenylene)bis-.

Physical properties about this chemical are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 745; (6)ACD/BCF (pH 7.4): 741; (7)ACD/KOC (pH 5.5): 3958; (8)ACD/KOC (pH 7.4): 3934; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 79.2 cm3; (15)Molar Volume: 216.862 cm3; (16)Polarizability: 31.397×10-24cm3; (17)Surface Tension: 52.597 dyne/cm; (18)Enthalpy of Vaporization: 77.494 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Oc1ccc(cc1)c2ccc(cc2)c3ccc(O)cc3;
(2)InChI: InChI=1/C18H14O2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12,19-20H;
(3)InChIKey: FVIAPUZAEIMEEW-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C18H14O2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12,19-20H;
(5)Std. InChIKey: FVIAPUZAEIMEEW-UHFFFAOYSA-N