Structure Database (LMSD)

Common Name
2-Hydroxy-3-methylbutyric acid
Systematic Name
2-hydroxy-3-methylbutanoic acid
Synonyms
LM ID
LMFA01050478
Formula
Exact Mass
Calculate m/z
118.062995
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
NGEWQZIDQIYUNV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
SMILES (Click to copy)
C(C(O)C(C)C)(O)=O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

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 0.37
Molar Refractivity 28.99

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Created at
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Updated at
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