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Revision as of 11:54, 23 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 455758515 of page Levulinic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 455758515 of page Levulinic_acid with values updated to verified values.

Levulinic acid
Names


IUPAC name 4-Oxopentanoic acid
Other names Levulinic acid, Laevulinic acid, β-Acetylpropionic acid, 3-Acetopropionic acid, β-acetylpropionic acid, γ-ketovaleric acid, 4-oxopentanoic acid
Identifiers
CAS Number	123-76-2
3D model (JSmol)	Interactive image
ChEBI	CHEBI:45630
ChemSpider	11091
DrugBank	DB02239
PubChem CID	11579
UNII	RYX5QG61EI
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)Key: JOOXCMJARBKPKM-UHFFFAOYSA-N InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)Key: JOOXCMJARBKPKM-UHFFFAOYAR
SMILES CC(=O)CCC(=O)O
Properties
Chemical formula	C₅H₈O₃
Molar mass	116.11 g/mol
Density	1.1447 g/cm
Melting point	33-35 °C
Boiling point	245-246 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

Chemical compound