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20733-94-2

20733-94-2 structural image
Product Name: antithiamine factor
Formula: C12H14O5
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2092.1

COMPUTED DESCRIPTORS

Molecular Weight 238.24 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 238.08412354 g/mol
Monoisotopic Mass 238.08412354 g/mol
Topological Polar Surface Area 65 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 262
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl-sinapate is a hydroxycinnamic acid.