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CAS No.: | 19152-39-7 |
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Name: | 4'-HYDROXY-3,4-METHYLENEDIOXYCHALCONE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C16H12O4 |
Molecular Weight: | 268.269 |
Synonyms: | Chalcone,4'-hydroxy-3,4-(methylenedioxy)- (8CI);NSC 667227;1-(4-Hydroxyphenyl)-3-(3,4-methylenedioxyphenyl)-2-propen-1-one; |
Density: | 1.345 g/cm3 |
Boiling Point: | 482.6 °C at 760 mmHg |
Flash Point: | 184.8 °C |
Hazard Symbols: | Xi |
PSA: | 55.76000 |
LogP: | 3.01700 |
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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