Structure Database (LMSD)
Common Name
3-hydroxy-isovaleric acid
Systematic Name
3-hydroxy-3-methyl-butanoic acid
Synonyms
3D model of 3-hydroxy-isovaleric 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)
AXFYFNCPONWUHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
SMILES (Click to copy)
C(=O)(O)CC(O)(C)C
Other Databases
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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