CAS No.3769-42-4,1,3-Dibenzyloxybenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3769-42-4
Name:	1,3-Dibenzyloxybenzene
Article Data:	12

Formula:	C₂₀H₁₈O₂
Molecular Weight:	290.362
Synonyms:	1,3-Bis(benzyloxy)benzene;
Density:	1.122 g/cm³
Melting Point:	71.0 to 76.0 °C
Boiling Point:	440.3 °C at 760 mmHg
Flash Point:	172.6 °C
PSA:	18.46000
LogP:	4.84460

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Specification

The cas register number of 1,3-Dibenzyloxybenzene is 3769-42-4. It also can be called as Benzene,1,3-bis(phenylmethoxy)- and the Systematic name about this chemical is 1,3-bis(benzyloxy)benzene.

Physical properties about 1,3-Dibenzyloxybenzene are: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 5654.88; (6)ACD/BCF (pH 7.4): 5654.88; (7)ACD/KOC (pH 5.5): 16887.94; (8)ACD/KOC (pH 7.4): 16887.94; (9)#H bond acceptors: 2 ; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 18.46Å²; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 88.58 cm³; (14)Molar Volume: 258.8 cm³; (15)Polarizability: 35.1x10^-24cm³; (16)Surface Tension: 43.5 dyne/cm; (17)Enthalpy of Vaporization: 67.05 kJ/mol; (18)Vapour Pressure: 1.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2cccc(OCc1ccccc1)c2)Cc3ccccc3
(2)InChI: InChI=1/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
(3)InChIKey: RESHZVQZWMQUMB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
(5)Std. InChIKey: RESHZVQZWMQUMB-UHFFFAOYSA-N