Structure Database (LMSD)

Common Name
2Z-Hexenoic acid
Systematic Name
2Z-Hexenoic acid
Synonyms
  • C6:1n-4
LM ID
LMFA01030791
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)
NIONDZDPPYHYKY-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4-
SMILES (Click to copy)
C(/C=C\CCC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

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 1.43
Molar Refractivity 31.68

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022