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845790-49-0

845790-49-0 structural image
Product Name: 5-OXO-5-(4-THIOMETHYLPHENYL)VALERIC ACID
Formula: C12H14O3S
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COMPUTED DESCRIPTORS

Molecular Weight 238.30 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 238.06636548 g/mol
Monoisotopic Mass 238.06636548 g/mol
Topological Polar Surface Area 79.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 245
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