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80916-87-6

80916-87-6 structural image
Product Name: 8-(5-Oxaheptyloxy)-3-(1H-tetrazol-5-yl)coumarin
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COMPUTED DESCRIPTORS

Molecular Weight 330.34 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 330.13280507 g/mol
Monoisotopic Mass 330.13280507 g/mol
Topological Polar Surface Area 99.2 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 459
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