Ethyl 2-Chloro-3-oxopropanoate - CAS 33142-21-1

Catalog:	BB021575
Product Name:	Ethyl 2-Chloro-3-oxopropanoate
CAS:	33142-21-1
Synonyms:	2-chloro-3-oxopropanoic acid ethyl ester; ethyl 2-chloro-3-oxopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-chloro-3-oxopropanoate
Description:	Material that was assayed to be approximately 80% pure was diluted to 5% in benzene.
Molecular Weight:	150.56
Molecular Formula:	C5H7ClO3
Canonical SMILES:	CCOC(=O)C(C=O)Cl
InChI:	InChI=1S/C5H7ClO3/c1-2-9-5(8)4(6)3-7/h3-4H,2H2,1H3
InChI Key:	DWXKSCKBUSAOKS-UHFFFAOYSA-N
Boiling Point:	172.4 °C at 760 mmHg
Density:	1.223 g/cm³
MDL:	MFCD07369378
LogP:	0.70500

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Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0083718
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.0083718
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8