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1977-37-3 | Propane, 1-(methylsulfonyl)-
CAS No: 1977-37-3 Catalog No: AG002AYS MDL No:
Product Description
Catalog Number:
AG002AYS
Chemical Name:
Propane, 1-(methylsulfonyl)-
CAS Number:
1977-37-3
Molecular Formula:
C4H10O2S
Molecular Weight:
122.1860
IUPAC Name:
1-methylsulfonylpropane
InChI:
InChI=1S/C4H10O2S/c1-3-4-7(2,5)6/h3-4H2,1-2H3
InChI Key:
QAPSIUMUNHNUPW-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.04g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.182g/mol
Monoisotopic Mass:
122.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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