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Basic Information
CAS No.: 63366-83-6
Name: ACETYL-TRANS-RESVERATROL
Article Data: 10
Molecular Structure:
Molecular Structure of 63366-83-6 (ACETYL-TRANS-RESVERATROL)
Formula: C20H18O6
Molecular Weight: 298.339
Synonyms: Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-, acetate (9CI);Phenol, 4-[2-(3,5-dimethoxyphenyl)ethenyl]-,acetate, (E)-;Actyl resveratrol;
Density: 1.241 g/cm3
Melting Point: 123 - 126 °C
Boiling Point: 504.803 °C at 760 mmHg
Flash Point: 221.436 °C
PSA: 78.90000
LogP: 3.63290
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Specification

The Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-, 1-acetate, with the CAS registry number 63366-83-6, is also known as Acetyl-trans-resveratrol. This chemical's molecular formula is C20H18O6 and molecular weight is 354.11. What's more, its systematic name is called 3-Acetoxy-5-[(E)-2-(4-acetoxyphenyl)vinyl]phenyl acetate.

Physical properties about Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-, 1-acetate are: (1)ACD/LogP: 2.611; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.82; (6)ACD/BCF (pH 7.4): 56.82; (7)ACD/KOC (pH 5.5): 627.34; (8)ACD/KOC (pH 7.4): 627.34; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 97.67 cm3; (15)Molar Volume: 285.527 cm3; (16)Polarizability: 38.719×10-24 cm3; (17)Surface Tension: 46.73 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 221.436 °C; (20)Enthalpy of Vaporization: 77.434 kJ/mol; (21)Boiling Point: 504.803 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1cc(cc(OC(=O)C)c1)\C=C\c2ccc(OC(=O)C)cc2)C
(2) InChI: InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
(3) InChIKey: PDAYUJSOJIMKIS-SNAWJCMRSA-N