Diiodoacetic acid

CAT: 0931-T40683Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T40683Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

598-89-0

Target

Others

Related Pathways

Others

Bioactivity

Diiodoacetic acid, a disinfection by-product (DBP), forms during water disinfection.

Smiles

OC(=O)C(I)I

Molecular Formula

C2H2I2O2

Molecular Weight

311.85

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Diiodoacetic acid

CAS Number	598-89-0
PubChem CID	14795000
IUPAC Name	2,2-diiodoacetic acid
Molecular Formula	C2H2I2O2
Molecular Weight	311.84
XLogP	1.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	60

SMILES

C(C(=O)O)(I)I

InChI

InChI=1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

BQAMFNQVNXPFFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 598-89-0

CID: 14795000

Formula: C2H2I2O2

MW: 311.84

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	311.84
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	311.81442
Monoisotopic Mass	311.81442
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19188921	Diiodoacetic acid
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)

Diiodoacetic acid

Chemical Information

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