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58394-58-4

58394-58-4 structural image
Product Name: 4-ISOTHIOCYANATOBENZOYL-DL-HOMOSERINE LACTONE
Formula: C12H10N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 262.29 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 262.04121336 g/mol
Monoisotopic Mass 262.04121336 g/mol
Topological Polar Surface Area 99.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 385
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