Structure Database (LMSD)
Common Name
9Z-Octadecenedioic acid
Systematic Name
9Z-Octadecenedioic acid
Synonyms
LM ID
LMFA01170055
Formula
Exact Mass
Calculate m/z
312.23006
Sum Composition
Status
Curated
3D model of 9Z-Octadecenedioic 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)
SBLKVIQSIHEQOF-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCC(=O)O)(=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
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.17
Molar Refractivity
89.05
Admin
Created at
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Updated at
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