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
Main
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
References
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