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102096-20-8 | 2-Butanone, 1-[(methylsulfonyl)oxy]-
CAS No: 102096-20-8 Catalog No: AG0006LG MDL No:
Product Description
Catalog Number:
AG0006LG
Chemical Name:
2-Butanone, 1-[(methylsulfonyl)oxy]-
CAS Number:
102096-20-8
Molecular Formula:
C5H10O4S
Molecular Weight:
166.1955
IUPAC Name:
2-oxobutyl methanesulfonate
InChI:
InChI=1S/C5H10O4S/c1-3-5(6)4-9-10(2,7)8/h3-4H2,1-2H3
InChI Key:
BGEHSESMQMXQLW-UHFFFAOYSA-N
SMILES:
CCC(=O)COS(=O)(=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:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.191g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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