Ioxynic acid

CAT: 0931-T20411-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T20411-01Size:25 mg

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

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CAS Number

618-76-8

Target

Others

Related Pathways

Others

Bioactivity

Ioxynic acid is an agent of biochemical.

Smiles

OC(=O)c1cc(I)c(O)c(I)c1

Molecular Formula

C7H4I2O3

Molecular Weight

389.91

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ioxynic acid

CAS Number	618-76-8
PubChem CID	12065
IUPAC Name	4-hydroxy-3,5-diiodobenzoic acid
Molecular Formula	C7H4I2O3
Molecular Weight	389.91
XLogP	1.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	173

SMILES

C1=C(C=C(C(=C1I)O)I)C(=O)O

InChI

InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

InChIKey

XREKTVACBXQCSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 618-76-8

CID: 12065

Formula: C7H4I2O3

MW: 389.91

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	389.91
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	389.82499
Monoisotopic Mass	389.82499
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173
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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Catalog	Name
GTR19202295-01	Ioxynic acid
OR1071368-01	Acid-apeg6-acid
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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)
O5678	Octanoic acid (Caorylic acid)
FR11870-01	Ribonucleic acid free acid
300571	Liquidambaric acid (Betulonic acid)
300068	Chicoric acid (Cichoric acid)

Ioxynic acid

Chemical Information

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