Home Sulfos 1-(Propane-1-sulfonyl)propan-2-one

1-(Propane-1-sulfonyl)propan-2-one

CAS No.:
91313-63-2
Catalog Number:
AG00IGL4
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
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Product Description
Catalog Number:
AG00IGL4
Chemical Name:
1-(Propane-1-sulfonyl)propan-2-one
CAS Number:
91313-63-2
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
MDL Number:
MFCD00206664
IUPAC Name:
1-propylsulfonylpropan-2-one
InChI:
InChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h3-5H2,1-2H3
InChI Key:
GIBVRWNWIPWWSI-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)CC(=O)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.219g/mol
Monoisotopic Mass:
164.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties