Free Chemical Databases
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[Synonyms]
NSC229353
[Structure]
[ Properties Computed from Structure]
Molecular Weight 210.29266 [g/mol] Molecular Formula C11H14O2S XLogP 1.7 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Exact Mass 210.07145 MonoIsotopic Mass 210.07145 Topological Polar Surface Area 34.1 Heavy Atom Count 14 Formal Charge 0 Complexity 279 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-methylprop-2-enylsulfonylmethylbenzene
Canonical SMILES: CC(=C)CS(=O)(=O)CC1=CC=CC=C1
InChI: InChI=1/C11H14O2S/c1-10(2)8-14(12,13)9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
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