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94231-77-3

94231-77-3 structural image
Product Name: 1-ETHOXY-3-ISOTHIOCYANATO-PROPANE
Formula: C6H11NOS
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COMPUTED DESCRIPTORS

Molecular Weight 145.23 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 145.05613515 g/mol
Monoisotopic Mass 145.05613515 g/mol
Topological Polar Surface Area 53.7 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 99.2
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