Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140025
Common Name13-Phenyltridecanoic acid
Systematic Name13-Phenyltridecanoic acid
Synonyms-
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID10541544
PlantFA ID10515
InChIKeyJVPLVXRNWLOHML-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,1
1-12,15-16H,1-8,10,13-14,17H2,(H,20,21)
SMILESC(O)(=O)CCCCCCCCCCCCC1=CC=CC=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
321.02Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.60Molar
Refractivity
88.57