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856906-99-5

856906-99-5 structural image
Product Name: 5-methylfuran-2-carbonyl isothiocyanate
Formula: C7H5NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 167.19 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 167.00409958 g/mol
Monoisotopic Mass 167.00409958 g/mol
Topological Polar Surface Area 74.7 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 211
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