Structure Database (LMSD)
Common Name
Malonic acid
Systematic Name
Propanedioic acid
Synonyms
3D model of Malonic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Other Databases
Wikipedia
LIPIDAT ID
8333
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
PDB 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
Admin
Created at
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Updated at
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