Ethyl 3-Oxopropanoate - CAS 34780-29-5

Catalog:	BB022278
Product Name:	Ethyl 3-Oxopropanoate
CAS:	34780-29-5
Synonyms:	3-oxopropanoic acid ethyl ester; ethyl 3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-oxopropanoate
Description:	Ethyl 3-Oxopropanoate (CAS# 34780-29-5) is a useful research chemical.
Molecular Weight:	116.12
Molecular Formula:	C5H8O3
Canonical SMILES:	CCOC(=O)CC=O
InChI:	InChI=1S/C5H8O3/c1-2-8-5(7)3-4-6/h4H,2-3H2,1H3
InChI Key:	SYFFHRPDTQNMQB-UHFFFAOYSA-N
Boiling Point:	148.777 °C at 760 mmHg
Density:	1.038 g/cm³
LogP:	0.13850

Publication Number	Title	Priority Date
CN-113292603-A	Metal complex, organic electroluminescent device and application thereof	20210520
CN-112779100-A	Vegetable oil polyalcohol for removing suspension chain and preparation method and application thereof	20210125
CN-112375029-A	Carbazole alkaloid derivative and preparation method and application thereof	20201111
WO-2021142420-A1	PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN	20200110
WO-2021116128-A1	Process for preparing cyanoacetates	20191212

PMID	Publication Date	Title	Journal
21754154	20110401	Benzyl 5-hy-droxy-4-oxapenta-cyclo-[5.4.1.0.0.0]dodecane-3-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
15279942	20040901	Quantitative and qualitative comparison of density-based purification methods for detection of Cryptosporidium oocysts in turbid environmental matrices	Journal of microbiological methods

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Complexity:	87.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.047344113
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.047344113
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1