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CAS No.: | 54299-52-4 |
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Name: | 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone |
Molecular Structure: | |
Formula: | C17H18O5 |
Molecular Weight: | 302.3218 |
Synonyms: | 1-Propanone, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenyl-; |
Density: | 1.243 g/cm3 |
Boiling Point: | 524.7 °C at 760 mmHg |
Flash Point: | 193.4 °C |
PSA: | 75.99000 |
LogP: | 2.93050 |
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The 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone, with the CAS registry number 54299-52-4, is also known as 1-Propanone, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenyl-. This chemical's molecular formula is C17H18O5 and molecular weight is 302.3218. Its systematic name is called 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenylpropan-1-one.
Physical properties of 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone: (1)ACD/LogP: 4.16; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 8; (5)Index of Refraction: 1.594; (6)Molar Refractivity: 82.52 cm3; (7)Molar Volume: 243 cm3; (8)Surface Tension: 50.4 dyne/cm; (9)Density: 1.243 g/cm3; (10)Flash Point: 193.4 °C; (11)Enthalpy of Vaporization: 82.87 kJ/mol; (12)Boiling Point: 524.7 °C at 760 mmHg; (13)Vapour Pressure: 1.25E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)c(OC)c(O)cc1OC)CCc2ccccc2
(2)InChI: InChI=1/C17H18O5/c1-21-14-10-13(19)17(22-2)16(20)15(14)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3
(3)InChIKey: FXSMSBHKHZUDMO-UHFFFAOYAI