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28199-69-1

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Basic Information
CAS No.: 28199-69-1
Name: Dihydrodehydrodiconiferyl alcohol
Article Data: 15
Molecular Structure:
Molecular Structure of 28199-69-1 (Dihydrodehydrodiconiferyl alcohol)
Formula: C20H24O6
Molecular Weight: 360.407
Synonyms: 5-Benzofuranpropanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, (2R,3S)-;
Density: 1.261 g/cm3
Boiling Point: 540.9 °C at 760 mmHg
Flash Point: 280.9 °C
PSA: 88.38000
LogP: 2.54390
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Specification

The CAS registry number of Dihydrodehydrodiconiferyl alcohol is 28199-69-1. This chemical is also named as 5-Benzofuranpropanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, (2R,3S)-. In addition, its molecular formula is C20H24O6 and molecular weight is 360.401. Its systematic name is called 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol.

Physical properties about Dihydrodehydrodiconiferyl alcohol are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 10; (6)Index of Refraction: 1.595; (7)Molar Refractivity: 97.04 cm3; (8)Molar Volume: 285.5 cm3; (9)Surface Tension: 53.9 dyne/cm; (10)Density: 1.261 g/cm3; (11)Flash Point: 280.9 °C; (12)Enthalpy of Vaporization: 86.16 kJ/mol; (13)Boiling Point: 540.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1OC)[C@@H]3Oc2c(OC)cc(cc2[C@H]3CO)CCCO
(2)InChI: InChI=1/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m1/s1
(3)InChIKey: SBLZVJIHPWRSQQ-BEFAXECRB