(2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on supplier

Name
2',4-DIHYDROXY-4',6'-DIMETHOXYCHALCONE
EINECS 200-258-5
CAS No. 56798-34-6
Article Data4
CAS DataBase
Density 1.279 g/cm³
Solubility
Melting Point 194-196°C
Formula C₁₇H₁₆O₅
Boiling Point 556 °C at 760 mmHg
Molecular Weight 300.31
Flash Point 207.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Flavokawain C;ZINC04100761;
PSA 75.99000
LogP 3.01110

(2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on Specification

The (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on, with the CAS registry number 56798-34-6, is also known as ZINC04100761. This chemical's molecular formula is C₁₇H₁₆O₅ and molecular weight is 300.30594. Its IUPAC name is called (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.

Physical properties of (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 3.46; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 248.44; (5)ACD/BCF (pH 7.4): 63.92; (6)ACD/KOC (pH 5.5): 1784.41; (7)ACD/KOC (pH 7.4): 459.07; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.636; (12)Molar Refractivity: 84.22 cm³; (13)Molar Volume: 234.6 cm³; (14)Surface Tension: 53.3 dyne/cm; (15)Density: 1.279 g/cm³; (16)Flash Point: 207.2 °C; (17)Enthalpy of Vaporization: 86.87 kJ/mol; (18)Boiling Point: 556 °C at 760 mmHg; (19)Vapour Pressure: 5.71E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)O)O
(2)Isomeric SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O
(3)InChI: InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+
(4)InChIKey: UXUFMIJZNYXWDX-VMPITWQZSA-N

Product Name

2',4-DIHYDROXY-4',6'-DIMETHOXYCHALCONE

(2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on Specification

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