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74802-04-3

74802-04-3 structural image
Product Name: 7-Dimethylamino-4-methylcoumarin-3-isothiocyanate(DACITC)
Formula: C13H12N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 260.31 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 260.06194880 g/mol
Monoisotopic Mass 260.06194880 g/mol
Topological Polar Surface Area 74 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 438
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

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