Structure Database (LMSD)

Common Name
11-Phenylundecanoic acid
Systematic Name
11-Phenylundecanoic acid
Synonyms
LM ID
LMFA01140028
Formula
C17H26O2
Exact Mass
Calculate m/z
262.19328
Sum Composition
FA 17:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
AUQIXRHHSITZFM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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)
SMILES (Click to copy)
C(CCCCCCCCCCC1=CC=CC=C1)(=O)O

Other Databases

PubChem CID
76863
PlantFA ID
10534

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 286.42
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.82
Molar Refractivity 79.33

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Created at
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Updated at
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