Structure Database (LMSD)

Common Name
Isocrotonic acid
Systematic Name
2Z-butenoic acid
Synonyms
  • cis-2-butenoic acid
  • C4:1n-2
LM ID
LMFA01030194
Status
Active
Exact Mass
Calculate m/z
86.03678
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)
LDHQCZJRKDOVOX-IHWYPQMZSA-N
InChi (Click to copy)
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
SMILES (Click to copy)
C(=C/C)/C(=O)O

References

Other Databases

Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 90.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.65
Molar Refractivity 22.45

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Updated at
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