Structure Database (LMSD)
Common Name
3-iodo-2E-acrylic acid
Systematic Name
3-iodo-2E-propenoic acid
Synonyms
LM ID
LMFA01090137
Formula
C3H3IO2
Exact Mass
Calculate m/z
197.917782
Status
Active
3D model of 3-iodo-2E-acrylic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IBFDLVHJHUMSAC-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
SMILES (Click to copy)
C(/C=C/I)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
98.04
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.02
Molar Refractivity
30.80
Admin
Created at
-
Updated at
-