Structure Database (LMSD)

Common Name
D(-)-beta-hydroxy butyric acid
Systematic Name
3-hydroxy-butanoic acid
Synonyms
LM ID
LMFA01050005
Formula
Exact Mass
Calculate m/z
104.047345
Sum Composition
Status
Active


Classification

String Representations

InChiKey (Click to copy)
WHBMMWSBFZVSSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
SMILES (Click to copy)
C(O)(C)CC(=O)O

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0271
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
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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