Structure Database (LMSD)

Common Name
13-Phenyltridecanoic acid
Systematic Name
13-Phenyltridecanoic acid
Synonyms
LM ID
LMFA01140025
Status
Active
Exact Mass
Calculate m/z
290.22458
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
JVPLVXRNWLOHML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,20,21)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCCCC1=CC=CC=C1

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 321.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.60
Molar Refractivity 88.57

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Created at
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Updated at
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