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5000-46-4 | 1-(Methylsulfonyl);propan-2-one
CAS No: 5000-46-4 Catalog No: AG003D3N MDL No:MFCD00014745
Product Description
Catalog Number:
AG003D3N
Chemical Name:
1-(Methylsulfonyl);propan-2-one
CAS Number:
5000-46-4
Molecular Formula:
C4H8O3S
Molecular Weight:
136.1695
MDL Number:
MFCD00014745
IUPAC Name:
1-methylsulfonylpropan-2-one
InChI:
InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3
InChI Key:
NWEYGXQKFVGUFR-UHFFFAOYSA-N
SMILES:
CC(=O)CS(=O)(=O)C
EC Number:
225-665-6
NSC Number:
35395
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.019g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.165g/mol
Monoisotopic Mass:
136.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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