Structure Database (LMSD)
Common Name
penta-2,4-dienoic acid
Systematic Name
penta-2,4-dienoic acid
Synonyms
3D model of penta-2,4-dienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SDVVLIIVFBKBMG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)
SMILES (Click to copy)
OC(C=CC=C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
104.72
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.81
Molar Refractivity
26.97
Admin
Created at
-
Updated at
-