2,4-Dioxohexanoate

CAS	13246-52-1
Structure
Synonyms	Hexanoic acid, 2,4-dioxo-, ethyl ester
IUPAC Name	Ethyl 2,4-dioxohexanoate
Molecular Weight	172.18
Canonical SMILES	CCC(=O)CC(=O)C(=O)OCC
InChI	InChI=1S/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3
InChI Key	JGFBKJBAYISHAG-UHFFFAOYSA-N
Boiling Point	128-129 °C
Purity	95%+
Density	1.087 g/mL at 25 °C(lit.)
Exact Mass	172.07355886
Monoisotopic Mass	172.07355886
Physical State	Liquid
Storage Conditions	2-8 °C
Topological Polar Surface Area	60.4 Ų