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Triiodoacetic Acid (90%)

CAT: 0572-TRC-T795275-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795275-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
594-68-3
Hazard Statement
Toxic if swallowed; UN number: UN2923; Packing Group: II
Smiles
OC(=O)C(I)(I)I
Molecular Formula
C2 H I3 O2
Molecular Weight
437.74
InChI
InChI=1S/C2HI3O2/c3-2(4,5)1(6)7/h(H,6,7)
Additionnal Information
IUPAC name: 2,2,2-triiodoacetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Triiodoacetic acid
CAS Number594-68-3
PubChem CID68988
IUPAC Name2,2,2-triiodoacetic acid
Molecular FormulaC2HI3O2
Molecular Weight437.74
XLogP1.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity83
SMILES
C(=O)(C(I)(I)I)O
InChI
InChI=1S/C2HI3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
WWHZZMHPRRFPGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triiodoacetic acid
CAS: 594-68-3
CID: 68988
Formula: C2HI3O2
MW: 437.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.74
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass437.7111
Monoisotopic Mass437.7111
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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