Structure Database (LMSD)
Common Name
Undecanedioic acid
Systematic Name
Undecanedioic acid
Synonyms
- Undecandioic acid
- 1,11-Undecanedioic acid
LM ID
LMFA01170007
Formula
Exact Mass
Calculate m/z
216.13616
Sum Composition
Status
Active
3D model of Undecanedioic 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)
LWBHHRRTOZQPDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)O)(=O)O
References
Other Databases
LIPIDAT ID
6867
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
228.74
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.67
Molar Refractivity
56.82
Admin
Created at
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Updated at
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