Home Nitriles Acetonitrile, dimethoxy-

Acetonitrile, dimethoxy-

CAS No.:
5861-24-5
Catalog Number:
AG00IAF3
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
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Product Description
Catalog Number:
AG00IAF3
Chemical Name:
Acetonitrile, dimethoxy-
CAS Number:
5861-24-5
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
MDL Number:
MFCD17215902
IUPAC Name:
2,2-dimethoxyacetonitrile
InChI:
InChI=1S/C4H7NO2/c1-6-4(3-5)7-2/h4H,1-2H3
InChI Key:
GSWMRKGWNADDJL-UHFFFAOYSA-N
SMILES:
COC(C#N)OC
Properties
Complexity:
78.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties