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
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
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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