Structure Database (LMSD)

Common Name
2-hydroxy-2-methyl-butyric acid
Systematic Name
2-hydroxy-2-methyl-butanoic acid
Synonyms
LM ID
LMFA01050389
Formula
Exact Mass
Calculate m/z
118.062995
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
MBIQENSCDNJOIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
SMILES (Click to copy)
C(=O)(O)C(O)(C)CC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 118.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.52
Molar Refractivity 29.06

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Created at
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Updated at
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