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Iodoacetic acid

CAT: 0024-sc-215183Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215183Size:10 g
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CAS Number
64-69-7

Chemical Information

Iodoacetic Acid

Iodoacetic acid is a haloacetic acid that is acetic acid in which one of the hydrogens of the methyl group is replaced by an iodine atom. It has a role as an alkylating agent. It is a haloacetic acid and an organoiodine compound.

CAS Number64-69-7
PubChem CID5240
IUPAC Name2-iodoacetic acid
Molecular FormulaC2H3IO2
Molecular Weight185.95
XLogP0.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity42
SMILES
C(C(=O)O)I
InChI
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
JDNTWHVOXJZDSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodoacetic Acid
CAS: 64-69-7
CID: 5240
Formula: C2H3IO2
MW: 185.95
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.95
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass185.91778
Monoisotopic Mass185.91778
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.9
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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452410-01Iodoacetic Acid 2-13C discontinued
I02390-01Iodoacetic acid sodium salt 98%
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