Structure database (LMSD)

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LM IDLMFA01140028
Common Name11-Phenylundecanoic acid
Systematic Name11-Phenylundecanoic acid
Synonyms-
Exact Mass
262.1933 (neutral)    Calculate m/z:
FormulaC17H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID-
PlantFA ID10534
InChIKeyAUQIXRHHSITZFM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13
-14H,1-6,8,11-12,15H2,(H,18,19)
SMILESC(CCCCCCCCCCC1=CC=CC=C1)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings1Rotatable Bonds11
 van der Waals
Molecular Volume
286.42Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.82Molar
Refractivity
79.33