Home Sulfos 2-(3-methoxypropanesulfonyl)acetonitrile

2-(3-methoxypropanesulfonyl)acetonitrile

CAS No.:
1232400-69-9
Catalog Number:
AG01BD3Y
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
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Product Description
Catalog Number:
AG01BD3Y
Chemical Name:
2-(3-methoxypropanesulfonyl)acetonitrile
CAS Number:
1232400-69-9
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
MDL Number:
MFCD18895797
IUPAC Name:
2-(3-methoxypropylsulfonyl)acetonitrile
InChI:
InChI=1S/C6H11NO3S/c1-10-4-2-5-11(8,9)6-3-7/h2,4-6H2,1H3
InChI Key:
MNOLJIROPVAKBD-UHFFFAOYSA-N
SMILES:
COCCCS(=O)(=O)CC#N
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.218g/mol
Monoisotopic Mass:
177.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties