Structure Database (LMSD)

Common Name
Allyl acetic acid
Systematic Name
4-pentenoic acid
Synonyms
  • C5:1n-1
LM ID
LMFA01030007
Status
Active
Exact Mass
Calculate m/z
100.05243
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)
HVAMZGADVCBITI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
SMILES (Click to copy)
C=CCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 107.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.04
Molar Refractivity 27.07

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Created at
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Updated at
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