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
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
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
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Updated at
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