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3137-84-6

3137-84-6 structural image
Product Name: 3-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE
Formula: C10H9NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 207.25 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 207.03539970 g/mol
Monoisotopic Mass 207.03539970 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 249
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