(2E)-3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one supplier

Name
sappanchalcone
EINECS
CAS No. 94344-54-4
Article Data2
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄O₅
Boiling Point 581.673 °C at 760 mmHg
Molecular Weight 286.284
Flash Point 221.031 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propen-1-one,3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-, (E)-;Sappanchalcone;
PSA 86.99000
LogP 2.70810

(2E)-3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one Specification

The 2-Propen-1-one,3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-, (2E)-, with the CAS registry number 94344-54-4, is also known as (2E)-3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one. This chemical's molecular formula is C₁₆H₁₄O₅ and molecular weight is 286.28. What's more, its IUPAC name is called (E)-3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.606; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.60; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 55.71; (6)ACD/BCF (pH 7.4): 30.77; (7)ACD/KOC (pH 5.5): 616.76; (8)ACD/KOC (pH 7.4): 340.60; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 86.99 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 79.432 cm³; (15)Molar Volume: 209.116 cm³; (16)Polarizability: 31.489×10^-24cm³; (17)Surface Tension: 64.522 dyne/cm; (18)Density: 1.369 g/cm³; (19)Flash Point: 221.031 °C; (20)Enthalpy of Vaporization: 90.201 kJ/mol; (21)Boiling Point: 581.673 °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(c1ccc(O)cc1OC)\C=C\c2cc(O)c(O)cc2
(2) InChI: InChI=1S/C16H14O5/c1-21-16-9-11(17)4-5-12(16)13(18)6-2-10-3-7-14(19)15(20)8-10/h2-9,17,19-20H,1H3/b6-2+
(3) InChIKey: JVGNTXGHBHMJDO-QHHAFSJGSA-N

Product Name

sappanchalcone

(2E)-3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one Specification

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