Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione |
EINECS | N/A |
CAS No. | 33171-16-3 | Density | 1.282 g/cm3 |
PSA | 83.83000 | LogP | 3.36130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H18O5 | Boiling Point | 571.4 °C at 760 mmHg |
Molecular Weight | 338.36 | Flash Point | 205.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 6 |
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