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
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
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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