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Home > Encyclopedia > benzyl 9,10,10-trioxothioxanthene-3-carboxylate

benzyl 9,10,10-trioxothioxanthene-3-carboxylate

benzyl 9,10,10-trioxothioxanthene-3-carboxylate structure

benzyl 9,10,10-trioxothioxanthene-3-carboxylate 

structure
  • CAS No:

    152994-40-6

  • Formula:

    C21H14O5S

  • Chemical Name:

    benzyl 9,10,10-trioxothioxanthene-3-carboxylate

  • Synonyms:

    Oprea1_183183;ZINC3228904;AKOS033710446;CCG-349632;MCULE-3869462239;SR-01000032722;SR-01000032722-1;Z19802572;benzyl 9,10,10-trioxo-9H-10lambda6-thioxanthene-3-carboxylate;152994-40-6

benzyl 9,10,10-trioxothioxanthene-3-carboxylate Basic Attributes

378.4 g/mol

378.05619472 g/mol

Characteristics

85.9 Ų

Computed Properties

Molecular Weight:378.4
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:378.05619472
Monoisotopic Mass:378.05619472
Topological Polar Surface Area:85.9
Heavy Atom Count:27
Complexity:673
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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