1,2-Bis(acetoxy-methyloxy)ethane - CAS 90114-17-3

Catalog:	BB073007
Product Name:	1,2-Bis(acetoxy-methyloxy)ethane
CAS:	90114-17-3
Synonyms:	Acetic Acid Ethylenebis(oxymethylene) Ester; (Ethylenedioxy)di-methanol Diacetate; NSC 57560; 1,1'-[1,2-Ethanediylbis(oxy)]bis-methanol 1,1'-Diacetate

Technical Data

IUPAC Name:	2-(acetyloxymethoxy)ethoxymethyl acetate
Description:	1,2-Bis(acetoxy-methyloxy)ethane is synthesized from 1,2-Ethylene glycol (E890140), which is used in the production of nanocables and nanotubes.
Molecular Weight:	206.19
Molecular Formula:	C8H14O6
Canonical SMILES:	CC(=O)OCOCCOCOC(=O)C
InChI:	InChI=1S/C8H14O6/c1-7(9)13-5-11-3-4-12-6-14-8(2)10/h3-6H2,1-2H3
InChI Key:	JCWJORVNWIULDI-UHFFFAOYSA-N
References:	Yin, Y. et al. Nano Lett., 2, 427 (2002); Kong, H. et al. Macromol., 37, 4022 (2004).

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.07903816
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.07903816
Rotatable Bond Count:	9
Topological Polar Surface Area:	71.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1