2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)- supplier

Name
4'-HYDROXY-3,4-METHYLENEDIOXYCHALCONE
EINECS
CAS No. 19152-39-7
Article Data11
CAS DataBase
Density 1.345 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₂O₄
Boiling Point 482.6 °C at 760 mmHg
Molecular Weight 268.269
Flash Point 184.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Chalcone,4'-hydroxy-3,4-(methylenedioxy)- (8CI);NSC 667227;1-(4-Hydroxyphenyl)-3-(3,4-methylenedioxyphenyl)-2-propen-1-one;
PSA 55.76000
LogP 3.01700

2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)- Specification

The 2-Propen-1-one, 3-(1, 3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-, with the CAS registry number 19152-39-7, is also known as 4'-Hydroxy-3, 4-methylenedioxychalcone. This chemical's molecular formula is C₁₆H₁₂O₄ and molecular weight is 268.26. What's more, its IUPAC name is (2E)-3-(1, 3-Benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Propen-1-one, 3-(1, 3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 75.15 cm³; (9)Molar Volume: 199.4 cm³; (10)Polarizability: 29.79×10^-24 cm³; (11)Surface Tension: 62.7 dyne/cm; (12)Density: 1.345 g/cm³; (13)Flash Point: 184.8 °C; (14)Enthalpy of Vaporization: 77.6 kJ/mol; (15)Boiling Point: 482.6 °C at 760 mmHg; (16)Vapour Pressure: 6.13E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(O)cc1)\C=C\c2ccc3OCOc3c2
(2) InChI: InChI=1/C16H12O4/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2/b7-1+
(3) InChIKey: AZEHEBLLFINCCX-LREOWRDNBB

Product Name

4'-HYDROXY-3,4-METHYLENEDIOXYCHALCONE

2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)- Specification

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