Structure Database (LMSD)

Common Name
Propionic acid
Systematic Name
propanoic acid
Synonyms
  • Pseudoacetic acid
  • propionate
  • Methylacetic acid
  • Ethanecarboxylic acid
  • Ethylformic acid
  • C3:0
LM ID
LMFA01010003
Status
Active
Exact Mass
Calculate m/z
74.03678
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)
XBDQKXXYIPTUBI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
SMILES (Click to copy)
CCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 75.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.48
Molar Refractivity 17.93

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Created at
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Updated at
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