Ethyl 3,3-diethoxypropionate - CAS 10601-80-6

Catalog:	BB001754
Product Name:	Ethyl 3,3-diethoxypropionate
CAS:	10601-80-6
Synonyms:	ethyl 3,3-diethoxypropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3,3-diethoxypropanoate
Description:	Ethyl 3,3-diethoxypropionate (CAS# 10601-80-6) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C9H18O4
Canonical SMILES:	CCOC(CC(=O)OCC)OCC
InChI:	InChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3
InChI Key:	SIALOQYKFQEKOG-UHFFFAOYSA-N
Boiling Point:	209.3 °C at 760 mmHg
Purity:	97.0 %
Density:	0.982 g/cm³
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD00009865
LogP:	1.33870

Publication Number	Title	Priority Date
WO-2021163513-A1	Heat shock protein modulators and anti-huntington disease therapeutic agents	20200214
WO-2021142420-A1	PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN	20200110
RU-2754441-C2	New cdk8/19 inhibitors	20191230
CN-110437160-B	Preparation method of uracil	20190917
CN-111825670-A	Tetrahydrocarboline derivative, preparation method thereof and application thereof in preparing antihypertensive drug	20190422

PMID	Publication Date	Title	Journal
20420395	20100521	A one-step synthesis of 2,4-unsubstituted quinoline-3-carboxylic acid esters from o-nitrobenzaldehydes	The Journal of organic chemistry
16629118	20060301	Synthesis and RT inhibitory activity evaluation of new pyrimidine-based seco-nucleosides	Nucleosides, nucleotides & nucleic acids

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.12050905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.12050905
Rotatable Bond Count:	8
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1