Structure Database (LMSD)

Common Name
2-methyl-3-oxo-propanoic acid
Systematic Name
2-methyl-3-oxo-propanoic acid
Synonyms
LM ID
LMFA01060193
Status
Active
Exact Mass
Calculate m/z
102.031695
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)
VOKUMXABRRXHAR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)
SMILES (Click to copy)
C(=O)(O)C(C)C=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 98.85
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP -0.09
Molar Refractivity 22.86

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Created at
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Updated at
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