Structure Database (LMSD)

Common Name
alpha-hydroxy-isobutyric acid
Systematic Name
2-hydroxy-2-methyl-propanoic acid
Synonyms
  • Acetonic acid
LM ID
LMFA01050417
Status
Active
Exact Mass
Calculate m/z
104.047345
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)
BWLBGMIXKSTLSX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
SMILES (Click to copy)
C(=O)(O)C(O)(C)C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 101.49
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.13
Molar Refractivity 24.45

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Created at
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Updated at
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