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116496-16-3

116496-16-3 structural image
Product Name: 4-ISOPROPYL-2-METHYLBENZENE-1-SULFONIC ACID
Formula: C10H14O3S
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COMPUTED DESCRIPTORS

Molecular Weight 214.28 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 214.06636548 g/mol
Monoisotopic Mass 214.06636548 g/mol
Topological Polar Surface Area 62.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 276
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
Compound Is Canonicalized Yes