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1024006-47-0

1024006-47-0 structural image
Product Name: 2-(4-METHOXYPHENYL)-2-METHYL-1,3-THIAZOLANE-4-CARBOXYLIC ACID
Formula: C12H15NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 253.32 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 253.07726451 g/mol
Monoisotopic Mass 253.07726451 g/mol
Topological Polar Surface Area 83.9 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 292
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes