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3705-62-2

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Basic Information
CAS No.: 3705-62-2
Name: OS-138
Molecular Structure:
Molecular Structure of 3705-62-2 (OS-138)
Formula: C36H26O5
Molecular Weight: 538.599
Synonyms: Ether, bis(m-(m-phenoxyphenoxy)phenyl);1,1'-[Oxybis(benzene-3,1-diyloxy)]bis(3-phenoxybenzene);
EINECS: 223-048-6
Density: 1.217 g/cm3
Boiling Point: 644.3 °C at 760 mmHg
Flash Point: 247.4 °C
PSA: 46.15000
LogP: 10.64810
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Specification

The Benzene,1,1'-oxybis[3-(3-phenoxyphenoxy)-, with the CAS registry number 3705-62-2, is also known as Ether, bis(m-(m-phenoxyphenoxy)phenyl). Its EINECS number is 223-048-6. This chemical's molecular formula is C36H26O5 and molecular weight is 538.59. What's more, its systematic name is 1,1'-[oxybis(benzene-3,1-diyloxy)]bis(3-phenoxybenzene).

Physical properties of Benzene,1,1'-oxybis[3-(3-phenoxyphenoxy)- are: (1)ACD/LogP: 12.17; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.17; (4)ACD/LogD (pH 7.4): 12.17; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 158.47 cm3; (15)Molar Volume: 442.3 cm3; (16)Polarizability: 62.82×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 247.4 °C; (20)Enthalpy of Vaporization: 91.6 kJ/mol; (21)Boiling Point: 644.3 °C at 760 mmHg; (22)Vapour Pressure: 8.8E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c3cc(Oc2cccc(Oc1ccccc1)c2)ccc3)c6cccc(Oc5cccc(Oc4ccccc4)c5)c6
(2)Std. InChI: InChI=1S/C36H26O5/c1-3-11-27(12-4-1)37-29-15-7-17-31(23-29)39-33-19-9-21-35(25-33)41-36-22-10-20-34(26-36)40-32-18-8-16-30(24-32)38-28-13-5-2-6-14-28/h1-26H
(3)Std. InChIKey: RRVQXJQJDRLGGO-UHFFFAOYSA-N