Structure Database (LMSD)
Common Name
4-hydroxy-butyric acid
Systematic Name
4-hydroxy-butanoic acid
Synonyms
3D model of 4-hydroxy-butyric acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SJZRECIVHVDYJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
SMILES (Click to copy)
C(CO)CC(=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0272
PubChem CID
SwissLipids ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
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
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Updated at
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