Structure Database (LMSD)
Common Name
3-hydroxy-sebacic acid
Systematic Name
3-hydroxy-decanedioic acid
Synonyms
LM ID
LMFA01170092
Formula
Exact Mass
Calculate m/z
218.115425
Sum Composition
Status
Active
3D model of 3-hydroxy-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)
OQYZCCKCJQWHIE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
SMILES (Click to copy)
C(=O)(O)CC(O)CCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
220.23
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
1.53
Molar Refractivity
54.11
Admin
Created at
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Updated at
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