Structure Database (LMSD)
Common Name
Phellogenic acid
Systematic Name
Docosanedioic acid
Synonyms
- Docosan-1,22-dioic acid
- Felogenic acid
LM ID
LMFA01170037
Formula
Exact Mass
Calculate m/z
370.30831
Sum Composition
Status
Active
3D model of Phellogenic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DGXRZJSPDXZJFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
419.04
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.96
Molar Refractivity
107.61
Admin
Created at
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Updated at
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