Structure Database (LMSD)
Common Name
4-hydroxy-valeric acid
Systematic Name
4-hydroxy-pentanoic acid
Synonyms
3D model of 4-hydroxy-valeric 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)
FMHKPLXYWVCLME-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
C(C(O)C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
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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