Structure Database (LMSD)

Common Name
3-Hydroxypentan-2-one
Systematic Name
3-Hydroxypentan-2-one
Synonyms
LM ID
LMFA12000022
Status
Active
Exact Mass
Calculate m/z
102.06808
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HDKKRASBPHFULQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3
SMILES (Click to copy)
CC(=O)C(O)CC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 110.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.63
Molar Refractivity 27.49

Admin

Created at
-
Updated at
-