CAS No.33171-16-3,(1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-di ene-3,5-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33171-16-3
Name:	(1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-di ene-3,5-dione
Article Data:	6

Formula:	C₂₀H₁₈O₅
Molecular Weight:	338.36
Synonyms:	(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione;1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-;(1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione;Demethoxycurcumin;
Density:	1.282 g/cm³
Boiling Point:	571.4 °C at 760 mmHg
Flash Point:	205.5 °C
PSA:	83.83000
LogP:	3.36130

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Specification

The 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, with the CAS registry number 33171-16-3, is also known as 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-. This chemical's molecular formula is C₂₀H₁₈O₅ and molecular weight is 338.35. What's more, its IUPAC name is (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione.

Physical properties of 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 61.83 Å²; (7)Index of Refraction: 1.659; (8)Molar Refractivity: 97.36 cm³; (9)Molar Volume: 263.8 cm³; (10)Polarizability: 38.6×10^-24cm³; (11)Surface Tension: 56.9 dyne/cm; (12)Density: 1.282 g/cm³; (13)Flash Point: 205.5 °C; (14)Enthalpy of Vaporization: 88.86 kJ/mol; (15)Boiling Point: 571.4 °C at 760 mmHg; (16)Vapour Pressure: 1.17E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
(2)Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
(3)InChI: InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
(4)InChIKey: HJTVQHVGMGKONQ-LUZURFALSA-N