Structure Database (LMSD)

Common Name
4-hydroxy-2-octenal
Systematic Name
4-hydroxy-2-octenal
Synonyms
LM ID
LMFA06000039
Status
Active
Exact Mass
Calculate m/z
142.09938
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)
PYWFGGNTBVBZAT-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6-8,10H,2-3,5H2,1H3/b6-4+
SMILES (Click to copy)
CCCCC(O)/C=C/C([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.58
Molar Refractivity 41.25

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Created at
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Updated at
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