96-83-3
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
Inquiry
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.