Structure Database (LMSD)

Common Name
7-methoxy-dodec-4-enoic acid
Systematic Name
7-methoxy-4E-dodecenoic acid
Synonyms
LM ID
LMFA01080012
Status
Active
Exact Mass
Calculate m/z
228.172545
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)
KBMNVOKQUUZFOO-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)/b7-5+
SMILES (Click to copy)
CCCCCC(OC)C/C=C/CCC(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 254.55
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.68
Molar Refractivity 66.08

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Created at
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Updated at
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