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412936-84-6

412936-84-6 structural image
Product Name: 3-(3,4-DIMETHYL-BENZENESULFONYL)-PROPIONIC ACID
Formula: C11H14O4S
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COMPUTED DESCRIPTORS

Molecular Weight 242.29 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 242.06128010 g/mol
Monoisotopic Mass 242.06128010 g/mol
Topological Polar Surface Area 79.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 342
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