Iopanoic Acid

CAT: 0024-sc-487694ASize: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-487694ASize:25 g

Selected

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

Quick Request Actions

CAS Number

96-83-3

Chemical Information

Iopanoic Acid

Iopanoic acid is a monocarboxylic acid.

CAS Number	96-83-3
PubChem CID	3735
IUPAC Name	2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
Molecular Formula	C11H12I3NO2
Molecular Weight	570.93
XLogP	3.9
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	277

SMILES

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

InChI

InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)

InChIKey

OIRFJRBSRORBCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-83-3

CID: 3735

Formula: C11H12I3NO2

MW: 570.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	570.93
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	570.8002
Monoisotopic Mass	570.8002
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
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
MBS3606866-01	Iopanoic acid
A17658-500	Iopanoic acid 500mg
A17658-200	Iopanoic acid 200mg
HY-B1664R	Iopanoic acid (Standard)
A17658-100	Iopanoic acid 100mg
A17658-50	Iopanoic acid 50mg
A17658-10mM-D	Iopanoic acid 10mM * 1mL in DMSO
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)