Structure Database (LMSD)

Common Name
2-methyl-3-oxo-propanoic acid
Systematic Name
2-methyl-3-oxo-propanoic acid
Synonyms
LM ID
LMFA01060193
Formula
Exact Mass
Calculate m/z
102.031695
Sum Composition
Status
Active

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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