Structure Database (LMSD)

Common Name
Malonic acid
Systematic Name
Propanedioic acid
Synonyms
LM ID
LMFA01170041
Status
Active
Exact Mass
Calculate m/z
104.01096
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)
OFOBLEOULBTSOW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILES (Click to copy)
C(CC(=O)O)(=O)O

References

Other Databases

Wikipedia
LIPIDAT ID
8333
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 90.34
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.45
Molar Refractivity 19.89

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Created at
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Updated at
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