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3701-44-8

3701-44-8 structural image
Product Name: 3-ETHOXYPHENYLISOTHIOCYANATE
Formula: C9H9NOS
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COMPUTED DESCRIPTORS

Molecular Weight 179.24 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 179.04048508 g/mol
Monoisotopic Mass 179.04048508 g/mol
Topological Polar Surface Area 53.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 177
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