Structure Database (LMSD)

Common Name
3E-pentene-2-one
Systematic Name
3E-pentene-2-one
Synonyms
LM ID
LMFA12000028
Status
Active
Exact Mass
Calculate m/z
84.057515
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)
LABTWGUMFABVFG-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
SMILES (Click to copy)
CC(=O)/C=C/C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 98.57
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.15
Molar Refractivity 25.49

Admin

Created at
-
Updated at
-