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ethylsulfonylacetonitrile

CAS No.:
13654-62-1
Catalog Number:
AG009Y7H
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
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Product Description
Catalog Number:
AG009Y7H
Chemical Name:
ethylsulfonylacetonitrile
CAS Number:
13654-62-1
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
MDL Number:
MFCD11934304
IUPAC Name:
2-ethylsulfonylacetonitrile
InChI:
InChI=1S/C4H7NO2S/c1-2-8(6,7)4-3-5/h2,4H2,1H3
InChI Key:
UMCQAGDGGSOQGK-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CC#N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.165g/mol
Monoisotopic Mass:
133.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties