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30831-95-9

30831-95-9 structural image
Product Name: 2-Methoxy-3-benzothiazolinecarboxylic acid ethyl ester
Formula: C11H13NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 239.29 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 239.06161445 g/mol
Monoisotopic Mass 239.06161445 g/mol
Topological Polar Surface Area 64.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 262
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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