CAS 126-84-1 | Propane, 2,2-diethoxy- | CAS Number 126-84-1

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126-84-1 | Propane, 2,2-diethoxy-

CAS No: 126-84-1 Catalog No: AG000QOM MDL No:MFCD00009224

Product Description

Catalog Number:

AG000QOM

Chemical Name:

Propane, 2,2-diethoxy-

CAS Number:

126-84-1

Molecular Formula:

C7H16O2

Molecular Weight:

132.2007

MDL Number:

MFCD00009224

IUPAC Name:

2,2-diethoxypropane

InChI:

InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3

InChI Key:

FGQLGYBGTRHODR-UHFFFAOYSA-N

SMILES:

CCOC(OCC)(C)C

EC Number:

204-808-6

UNII:

18I1QHH2K2

NSC Number:

528014

Properties

Complexity:

61.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.203g/mol

Monoisotopic Mass:

132.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Kinetics and mechanisms of the unimolecular elimination of 2,2-diethoxypropane and 1,1-diethoxycyclohexane in the gas phase: experimental and theoretical study.	The journal of physical chemistry. A 20120119
Synthesis of triazole nucleoside derivatives.	Nucleosides, nucleotides & nucleic acids 20030401
5,5-Dimethyl-1,4,2-dioxazoles as versatile aprotic hydroxamic acid protecting groups.	The Journal of organic chemistry 20020712