Structure Database (LMSD)
Common Name
9-Hydroxy-10-ketooctadecanoic acid
Systematic Name
9-Hydroxy-10-oxooctadecanoic acid
Synonyms
LM ID
LMFA01060213
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Active
3D model of 9-Hydroxy-10-ketooctadecanoic 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)
VDWGDORPPCKMFR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h17,20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC(O)C(=O)CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
349.84
Topological Polar Surface Area
74.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.77
Molar Refractivity
89.47
Admin
Created at
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Updated at
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