Structure Database (LMSD)

Common Name
4-hydroxyhexenal
Systematic Name
4-hydroxy-2E-hexenal
Synonyms
  • 4-HHE
LM ID
LMFA06000016
Status
Active
Exact Mass
Calculate m/z
114.06808
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)
JYTUBIHWMKQZRB-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3/b4-3+
SMILES (Click to copy)
CCC(O)/C=C/C([H])=O

References

Other Databases

PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 124.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.80
Molar Refractivity 32.01

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Created at
-
Updated at
22nd Oct 2019