Ethyl diethoxyacetate - CAS 6065-82-3

Catalog:	BB030766
Product Name:	Ethyl diethoxyacetate
CAS:	6065-82-3
Synonyms:	ethyl 2,2-diethoxyacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2,2-diethoxyacetate
Description:	By-product in the synthesis of Ethyl-2-(diethoxyphosphoryl)-2-hydroxyacetate.
Molecular Weight:	176.21
Molecular Formula:	C8H16O4
Canonical SMILES:	CCOC(C(=O)OCC)OCC
InChI:	InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3
InChI Key:	XCLBIKIQSCTANZ-UHFFFAOYSA-N
Boiling Point:	198-200 ℃
Density:	0.988 g/cm³
MDL:	MFCD00009231
LogP:	0.94860

Publication Number	Title	Priority Date
CN-111620868-A	Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde	20200528
CN-111620868-B	Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde	20200528
WO-2021180774-A1	Modulators of the integrated stress response pathway	20200311
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
WO-2021176217-A1	Method for post-processing an additively manufactured part	20200303

PMID	Publication Date	Title	Journal
21588679	20100818	Ethyl 2-[(Z)-2-benzyl-hydrazin-1-yl-idene]-2-bromo-acetate	Acta crystallographica. Section E, Structure reports online

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Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.10485899
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.10485899
Rotatable Bond Count:	7
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1