Structure Database (LMSD)
Common Name
9,10-dioxo-octadecanoic acid
Systematic Name
9,10-dioxo-octadecanoic acid
Synonyms
LM ID
LMFA02000264
Formula
Exact Mass
Calculate m/z
312.23006
Sum Composition
Status
Active
3D model of 9,10-dioxo-octadecanoic 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)
UCJSYDRGZVWHJS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(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
347.20
Topological Polar Surface Area
71.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
4.69
Molar Refractivity
87.96
Admin
Created at
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Updated at
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