Structure Database (LMSD)

Common Name
C11354
Systematic Name
(2E,4Z)-2-hydroxyhexa-2,4-dienoic acid
Synonyms
  • 2-Hydroxy-cis-hex-2,4-dienoate
  • AKOS006374931
LM ID
LMFA01031001
Status
Active
Exact Mass
Calculate m/z
128.047345
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)
VPGPQVKJUYKKNN-AWYLAFAOSA-N
InChi (Click to copy)
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+
SMILES (Click to copy)
O/C(/C(=O)O)=C/C=C\C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 130.81
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.09
Molar Refractivity 33.16

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Created at
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Updated at
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