Home Nitriles 2,3-dimethoxypropanenitrile

2,3-dimethoxypropanenitrile

CAS No.:
64590-97-2
Catalog Number:
AG01A5M8
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
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Product Description
Catalog Number:
AG01A5M8
Chemical Name:
2,3-dimethoxypropanenitrile
CAS Number:
64590-97-2
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD22045687
IUPAC Name:
2,3-dimethoxypropanenitrile
InChI:
InChI=1S/C5H9NO2/c1-7-4-5(3-6)8-2/h5H,4H2,1-2H3
InChI Key:
DFQDZETVYUYDGH-UHFFFAOYSA-N
SMILES:
COCC(C#N)OC
Properties
Complexity:
93.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties