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96-83-3

96-83-3 structural image
Product Name: Iopanoic acid
Formula: C11H12I3NO2
Synonyms: 2-(3-Amino-2,4,6-triiodobenzyl)butyric acid;3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid;Iodopanoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form POWDER
Odor FAINTLY AROMATIC
Taste TASTELESS
Melting Point MELTS WITH DECOMP BETWEEN 152 DEG & 158 °C
Solubility CREAM-COLORED SOLID; SOL IN DIL ALKALI, 95% ALC, OTHER ORG SOLVENTS /DL-ISOMER/
Stability/Shelf Life DARKENS ON EXPOSURE TO LIGHT
Collision Cross Section 172.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 570.93 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 570.8002 g/mol
Monoisotopic Mass 570.8002 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 277
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

Iopanoic acid is a monocarboxylic acid.