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6623-66-1

6623-66-1 structural image
Product Name: 6-NITRO-3,4-BENZOCOUMARIN
Formula: C13H7NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 385.15

COMPUTED DESCRIPTORS

Molecular Weight 241.20 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 241.03750770 g/mol
Monoisotopic Mass 241.03750770 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 365
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