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20943-16-2

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Basic Information
CAS No.: 20943-16-2
Name: 3-ACETYL-7-[BETA-D-GLUCOPYRANOSYLOXY]-COUMARIN
Molecular Structure:
Molecular Structure of 20943-16-2 (3-ACETYL-7-[BETA-D-GLUCOPYRANOSYLOXY]-COUMARIN)
Formula: C17H18 O9
Molecular Weight: 366.325
Synonyms: Coumarin,3-acetyl-7-(b-D-glucopyranosyloxy)-(8CI)
Density: 1.569g/cm3
Boiling Point: 698.5oC at 760 mmHg
Flash Point: 257.4oC
Hazard Symbols:
Risk Codes: R36/37/38   
PSA: 146.66000
LogP: -0.82570
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Chemistry

Molecule structure of 3-Acetylumbelliferyl beta-D-glucopyranoside (CAS NO.20943-16-2):

Molecular Formula: C17H18O9
Molecular Weight: 366.32 g/mol
CAS Registry Number: 20943-16-2 
Index of Refraction: 1.645
Molar Refractivity: 84.67 cm3
Molar Volume: 233.4 cm3
Polarizability: 33.56×10-24 cm3
Surface Tension: 78.5 dyne/cm
Density: 1.569 g/cm3
Flash Point: 257.4 °C
Enthalpy of Vaporization: 107.39 kJ/mol
Boiling Point: 698.5 °C at 760 mmHg
Vapour Pressure: 1.77E-20 mmHg at 25 °C 
Storage Temp.: 2-8 °C
InChI: InChI=1/C17H18O9/c1-7(19)10-4-8-2-3-9(5-11(8)25-16(10)23)24-17-15(22)14(21)13(20)12(6-18)26-17/h2-5,12-15,17-18,20-22H,6H2,1H3/t12-,13-,14+,15-,17-/m1/s1 
InChIKey: KYVGMGQCZKBVDT-OWVAZHOYBR
Std. InChI: InChI=1S/C17H18O9/c1-7(19)10-4-8-2-3-9(5-11(8)25-16(10)23)24-17-15(22)14(21)13(20)12(6-18)26-17/h2-5,12-15,17-18,20-22H,6H2,1H3/t12-,13-,14+,15-,17-/m1/s1 
Std. InChIKey of 3-Acetylumbelliferyl beta-D-glucopyranoside (CAS NO.20943-16-2): KYVGMGQCZKBVDT-OWVAZHOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 8

Specification

 3-Acetylumbelliferyl beta-D-glucopyranoside (CAS NO.20943-16-2) is also named as 2H-1-benzopyran-2-one, 3-acetyl-7-(beta-D-glucopyranosyloxy)- ; 3-Acetyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside ; 3-Acetyl-7-(beta-D-glucopyranosyloxy)coumarin ; 3-acetyl-7-beta-D-glucopyranosyloxycoumarin ; 3-Acetyl-7-coumarinyl-beta-D-glucopyranoside .