Structure Database (LMSD)

Common Name
3-n-decyl acrylic acid
Systematic Name
2-tridecenoic acid
Synonyms
  • C13:1n-11
LM ID
LMFA01030044
Status
Active
Exact Mass
Calculate m/z
212.17763
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)
GQVYBECSNBLQJV-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+
SMILES (Click to copy)
C(CCC)CCCCCC/C=C/C(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.16
Molar Refractivity 64.00

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Updated at
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