Structure Database (LMSD)
Common Name
9Z-traumatiin
Systematic Name
12-oxo-9Z-dodecenoic acid
Synonyms
3D model of 9Z-traumatiin
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)
KIHXTOVLSZRTHJ-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
234.61
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.95
Molar Refractivity
59.78
Admin
Created at
-
Updated at
1st Jun 2020