Structure Database (LMSD)
Common Name
Sebacic acid
Systematic Name
Decanedioic acid
Synonyms
- Iponic acid
- Ipomic acid
LM ID
LMFA01170006
Formula
Exact Mass
Calculate m/z
202.12051
Sum Composition
Status
Curated
3D model of Sebacic 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)
CXMXRPHRNRROMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
SMILES (Click to copy)
C(CCCCCCCCC(=O)O)(=O)O
Other Databases
Wikipedia
LIPIDAT ID
1818
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
211.44
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.28
Molar Refractivity
52.21
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Updated at
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