Molecular Structure of 3-Phenyl-2-propenyl beta-D-glucopyranoside (CAS No.69306-80-5):
Molecular Formula: C15H20O6
Molecular Weight: 296.3157
CAS No: 69306-80-5
H bond acceptors: 6
H bond donors: 4
Freely Rotating Bonds: 9
Polar Surface Area: 55.38 Å2
Index of Refraction: 1.613
Molar Refractivity: 75.8 cm3
Molar Volume: 217.6 cm3
Surface Tension: 66.2 dyne/cm
Density: 1.36 g/cm3
Flash Point: 281.8 °C
Enthalpy of Vaporization: 86.35 kJ/mol
Boiling Point: 542.4 °C at 760 mmHg
Vapour Pressure: 1.35E-12 mmHg at 25°C
InChI: InChI=1/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1
InChIKey: KHPCPRHQVVSZAH-GUNCLKARBM
Std. InChI: InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1
Std. InChIKey: KHPCPRHQVVSZAH-GUNCLKARSA-N
3-Phenyl-2-propenyl beta-D-glucopyranoside (CAS No.69306-80-5), its synonyms are (2E)-3-Phenylprop-2-en-1-yl beta-D-glucopyranoside ; beta-D-glucopyranoside, (2E)-3-phenyl-2-propen-1-yl ; beta-D-Glucopyranoside, (2E)-3-phenyl-2-propenyl ; 4-Cinnamyl alcohol beta-glucoside ; beta-D-Glucopyranoside, 3-phenyl-2-propenyl, (E)-
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