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3,4-divanillyltetrahydrofuran

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Name

3,4-divanillyltetrahydrofuran

EINECS N/A
CAS No. 34730-78-4 Density 1.224 g/cm3
PSA 68.15000 LogP 3.16280
Solubility N/A Melting Point 116-117℃
Formula C20H24O5 Boiling Point 527.8 °C at 760 mmHg
Molecular Weight 344.408 Flash Point 273 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 34730-78-4 (SCUTELLAREIN TETRAMETHYLETHER(RG)) Hazard Symbols N/A
Synonyms

3,4-Divanillyltetrahydrofuran;3,4-Divanilyltetrahydrofuran;Creosol, a,a'-(tetrahydro-3,4-furandiyl)di- (6CI);

Article Data 4

3,4-divanillyltetrahydrofuran Specification

The 3,4-divanillyltetrahydrofuran, with its CAS registry number 34730-78-4, has its systematic name of 4,4'-(tetrahydrofuran-3,4-diyldimethanediyl)bis(2-methoxyphenol). And with its molecular formula of C20H24O5, it could also be called as 3,4-Divanillyltetrahydrofuran.

Physical properties of 3,4-divanillyltetrahydrofuran: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.86; (6)ACD/BCF (pH 7.4): 61.62; (7)ACD/KOC (pH 5.5): 666.66; (8)ACD/KOC (pH 7.4): 664.07; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 95.5 cm3; (15)Molar Volume: 281.2 cm3; (16)Polarizability: 37.86×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 273 °C; (20)Enthalpy of Vaporization: 83.26 kJ/mol; (21)Boiling Point: 527.8 °C at 760 mmHg; (22)Vapour Pressure: 9.35E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Oc1ccc(cc1OC)CC3COCC3Cc2cc(OC)c(O)cc2
(2)InChI:InChI=1/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
(3)InChIKey:ROGUIJKVZZROIQ-UHFFFAOYAP

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