Structure Database (LMSD)

Common Name
3-hydroxy-3-methyl-2-oxo-butanoic acid
Systematic Name
3-hydroxy-3-methyl-2-oxo-butanoic acid
Synonyms
LM ID
LMFA01020277
Status
Active
Exact Mass
Calculate m/z
132.04226
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)
DNOPJXBPONYBLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)
SMILES (Click to copy)
C(=O)(C(=O)O)C(O)(C)C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 124.94
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.30
Molar Refractivity 29.45

Admin

Created at
-
Updated at
-