Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)- |
EINECS | N/A |
CAS No. | 19152-39-7 | Density | 1.345 g/cm3 |
PSA | 55.76000 | LogP | 3.01700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H12O4 | Boiling Point | 482.6 °C at 760 mmHg |
Molecular Weight | 268.269 | Flash Point | 184.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
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; |
Article Data | 11 |
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