Structure Database (LMSD)
Common Name
Dodecanedioic acid
Systematic Name
Dodecanedioic acid
Synonyms
LM ID
LMFA01170009
Formula
Exact Mass
Calculate m/z
230.15181
Sum Composition
Status
Active
3D model of Dodecanedioic 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)
TVIDDXQYHWJXFK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
SMILES (Click to copy)
C(CCCCCCCCCCC(=O)O)(=O)O
References
Other Databases
LIPIDAT ID
1817
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
246.04
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.06
Molar Refractivity
61.44
Admin
Created at
-
Updated at
-