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27293-82-9

27293-82-9 structural image
Product Name: 2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butyric acid
Formula: C15H18I3NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point >187
Solubility slightly water soluble

COMPUTED DESCRIPTORS

Molecular Weight 641.02 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 640.8421 g/mol
Monoisotopic Mass 640.8421 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 394
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tyropanoate is a monocarboxylic acid and a member of benzenes.