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Iodosodilactone - ≥98.0%, high purity , CAS No.2902-68-3
Basic Description
Synonyms
2H,6H-[1,2]Iodoxolo[4,5,1-hi]benziodoxole-2,6-dione | I0865 | Iodosodilactone | T72237 | 4lambda3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene-2,6-dione | 2H,6H-[1,2]Iodoxolo[4,5,1-hi][1,2]benziodoxole-2,6-dione | CAA90268 | MFCD24386358 | 2
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Dicarboxylic acids and derivatives Aryl iodides Carboxylic acid salts Oxacyclic compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta_phthalic_acid - Dicarboxylic acid or derivatives - Aryl iodide - Aryl halide - Carboxylic acid salt - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504771793
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771793
IUPAC Name
4λ3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene-2,6-dione
INCHI
InChI=1S/C8H3IO4/c10-7-4-2-1-3-5-6(4)9(12-7)13-8(5)11/h1-3H
InChIKey
DHIWEENQJCGNME-UHFFFAOYSA-N
Smiles
C1=CC2=C3C(=C1)C(=O)OI3OC2=O
Isomeric SMILES
C1=CC2=C3C(=C1)C(=O)OI3OC2=O
PubChem CID
60153134
Molecular Weight
290.01
Reaxy-Rn
981127
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive
Melt Point(°C)
263 °C
Molecular Weight
290.010 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
289.908 Da
Monoisotopic Mass
289.908 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
264.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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