CAS 25909-66-4 | Diethyl 4,4'-(ethane-1,2-diylbis(oxy))dibenzoate | CAS Number 25909-66-4

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25909-66-4 | Diethyl 4,4'-(ethane-1,2-diylbis(oxy))dibenzoate

CAS No: 25909-66-4 Catalog No: AG003QIC MDL No:MFCD00144288

Product Description

Catalog Number:

AG003QIC

Chemical Name:

Diethyl 4,4'-(ethane-1,2-diylbis(oxy))dibenzoate

CAS Number:

25909-66-4

Molecular Formula:

C20H22O6

Molecular Weight:

358.3851

MDL Number:

MFCD00144288

IUPAC Name:

ethyl 4-[2-(4-ethoxycarbonylphenoxy)ethoxy]benzoate

InChI:

InChI=1S/C20H22O6/c1-3-23-19(21)15-5-9-17(10-6-15)25-13-14-26-18-11-7-16(8-12-18)20(22)24-4-2/h5-12H,3-4,13-14H2,1-2H3

InChI Key:

XTHNYIOBLBKRMO-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)OCC

Properties

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.39g/mol

Monoisotopic Mass:

358.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Poly[[μ(10)-4,4'-(ethane-1,2-diyldi-oxy)dibenzoato]dipotassium].	Acta crystallographica. Section E, Structure reports online 20120401
Diethyl 4,4'-(ethane-1,2-diyldi-oxy)dibenzoate.	Acta crystallographica. Section E, Structure reports online 20110701