Structure Database (LMSD)
Common Name
3-Hydroxybutan-2-one
Systematic Name
3-Hydroxybutan-2-one
Synonyms
3D model of 3-Hydroxybutan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ROWKJAVDOGWPAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
SMILES (Click to copy)
CC(=O)C(O)C
References
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
92.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.24
Molar Refractivity
22.87
Admin
Created at
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Updated at
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