Structure Database (LMSD)

Common Name
9-phenyl nonanoic acid
Systematic Name
9-phenyl-nonanoic acid
Synonyms
LM ID
LMFA01140064
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
Sum Composition
FA 15:4
Status
Curated
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arisaema wilsonii (#228852)
Magnoliopsida (#3398)
Phenyl-terminated fatty acids in seeds of various aroids.,
Phytochemistry, 2004
Pubmed ID: 15587707

String Representations

InChiKey (Click to copy)
URWLWLXGACJYCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)
SMILES (Click to copy)
C1(CCCCCCCCC(=O)O)=CC=CC=C1

Other Databases

PubChem CID
3292215

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 251.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.04
Molar Refractivity 70.10

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Updated at
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