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88382-49-4

88382-49-4 structural image
Product Name: 4-[(PHENYLTHIO)METHYL]BENZOIC ACID
Formula: C14H12O2S
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COMPUTED DESCRIPTORS

Molecular Weight 244.31 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 244.05580079 g/mol
Monoisotopic Mass 244.05580079 g/mol
Topological Polar Surface Area 62.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 241
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