Tetraiodothyroformic Acid

CAT: 0024-sc-213024Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-213024Size:2.5 mg

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CAS Number

2055-97-2

Chemical Information

3,3',5,5'-Tetraiodothyroformic acid

structure

CAS Number	2055-97-2
PubChem CID	6451352
IUPAC Name	4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzoic acid
Molecular Formula	C13H6I4O4
Molecular Weight	733.80
XLogP	5.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	359

SMILES

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O

InChI

InChI=1S/C13H6I4O4/c14-7-3-6(4-8(15)11(7)18)21-12-9(16)1-5(13(19)20)2-10(12)17/h1-4,18H,(H,19,20)

InChIKey

HKJUOMPYMPXLFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2055-97-2

CID: 6451352

Formula: C13H6I4O4

MW: 733.80

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	733.80
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	733.6445
Monoisotopic Mass	733.6445
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	359
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

Catalog	Name
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid
sc-221248	Aminomalonic Acid Bis (4-aminobutyric Acid) amide Trifluoroacetic Acid Salt

Catalog	Name
FT66242-01	3,3',5,5'-Tetraiodothyroformic acid
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	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)