Structure Database (LMSD)

Common Name
(+/-)alpha-hydoxy butyric acid
Systematic Name
2-hydroxy-butanoic acid
Synonyms
LM ID
LMFA01050004
Formula
Exact Mass
Calculate m/z
104.047345
Sum Composition
Status
Active


Main

Classification

String Representations

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

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0270
PubChem CID

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

Admin

Created at
-
Updated at
-