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Diethoxyacetonitrile

CAS No.:
6136-93-2
Catalog Number:
AG0034PS
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$138
- +
100g
98%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG0034PS
Chemical Name:
Diethoxyacetonitrile
CAS Number:
6136-93-2
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD00043982
IUPAC Name:
2,2-diethoxyacetonitrile
InChI:
InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3
InChI Key:
UDELMRIGXNCYLU-UHFFFAOYSA-N
SMILES:
CCOC(C#N)OCC
EC Number:
228-111-1
Properties
Complexity:
98.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Total synthesis and complete structural assignment of thiocillin I. Journal of the American Chemical Society 20110420
Properties