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Home Other Building Blocks Methoxyacetone

Methoxyacetone

CAS No.:
5878-19-3
Catalog Number:
AG00354X
Molecular Formula:
C4H8O2
Molecular Weight:
88.1051
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$100
- +
25g
97%
In Stock USA
United States
$300
- +
100g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00354X
Chemical Name:
Methoxyacetone
CAS Number:
5878-19-3
Molecular Formula:
C4H8O2
Molecular Weight:
88.1051
MDL Number:
MFCD00008768
IUPAC Name:
1-methoxypropan-2-one
InChI:
InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3
InChI Key:
CUZLJOLBIRPEFB-UHFFFAOYSA-N
SMILES:
COCC(=O)C
EC Number:
227-549-0
Properties
Complexity:
49.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.052g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
88.106g/mol
Monoisotopic Mass:
88.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules. The journal of physical chemistry. A 20051229
Mechanism of the double aldol reaction: the first spectroscopic characterization of a carbon-bound boron enolate derived from carboxylic esters. Journal of the American Chemical Society 20020911
Properties