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8015-61-0

8015-61-0 structural image
Product Name: ALOIN
Formula: C21H22O9
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 148 °C; 70 - 80 °C (monohydrate)

COMPUTED DESCRIPTORS

Molecular Weight 418.4 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 418.12638228 g/mol
Monoisotopic Mass 418.12638228 g/mol
Topological Polar Surface Area 168 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 630
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aloin A is a natural product found in Aloe arborescens with data available.