Structure Database (LMSD)

Common Name
ethyl 2E-propenoate
Systematic Name
ethyl 2E-propenoate
Synonyms
  • WE(2:0/3:1(2E))
LM ID
LMFA07010505
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)
JIGUQPWFLRLWPJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
SMILES (Click to copy)
O=C(C=C)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

KEGG ID
HMDB ID
CHEBI 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 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.02
Molar Refractivity 27.32

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Created at
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Updated at
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