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1,2-Dimethoxypropane

CAS No.:
7778-85-0
Catalog Number:
AG003DEK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003DEK
Chemical Name:
1,2-Dimethoxypropane
CAS Number:
7778-85-0
MDL Number:
MFCD00010331
IUPAC Name:
1,2-dimethoxypropane
InChI:
InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
InChI Key:
LEEANUDEDHYDTG-UHFFFAOYSA-N
EC Number:
404-630-0
Properties
Complexity:
37.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Diffusion of 1,2-dimethoxyethane and 1,2-dimethoxypropane through phosphatidycholine bilayers: a molecular dynamics study. The journal of physical chemistry. B 20120503
Structure and dynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in aqueous and non-aqueous solutions: a molecular dynamics study. The Journal of chemical physics 20111028
Structures and unusual rearrangements of coordination adducts of MX(5) (M = Nb, Ta; X = F, Cl) with simple diethers. A crystallographic, spectroscopic, and computational study. Inorganic chemistry 20100104
Design and evaluation of nonfluorous CO2-soluble oligomers and polymers. The journal of physical chemistry. B 20091112
From 1,2-dialkoxyalkanes to 1,4-dioxanes. A transformation mediated by NbCl(5)via multiple C-O bond cleavage at room temperature. Chemical communications (Cambridge, England) 20080821
Properties