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115787-85-4

115787-85-4 structural image
Product Name: 8-DODECANOYLOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
Formula: C28H29Na3O11S3
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COMPUTED DESCRIPTORS

Molecular Weight 706.7 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 12
Exact Mass 706.05650810 g/mol
Monoisotopic Mass 706.05650810 g/mol
Topological Polar Surface Area 223 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1210
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 4
Compound Is Canonicalized Yes