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Home > Encyclopedia > benzo(a)pyrenyl-1-sulfate

benzo(a)pyrenyl-1-sulfate

benzo(a)pyrenyl-1-sulfate structure

benzo(a)pyrenyl-1-sulfate 

structure
  • CAS No:

    64810-99-7

  • Formula:

    C20H12O4S

  • Chemical Name:

    benzo(a)pyrenyl-1-sulfate

  • Synonyms:

    BAP-1-S;benzo(a)pyrenyl-1-sulfate;CCRIS 4075;benzo[pqr]tetraphen-1-yl hydrogen sulfate;Benzo(a)pyrene-1-sulfate;Benzo(a)pyren-1-ol, hydrogen sulfate;benzo[a]pyrene-1-sulfate;Benzo[a]pyren-1-ol sulfate;CTK8D9839

benzo(a)pyrenyl-1-sulfate Basic Attributes

348.377

348.046

Characteristics

72

5.3

1.568±0.06 g/cm3(Predicted)

Drug Information

BAP-1-S

Computed Properties

Molecular Weight:348.4
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:348.04563003
Monoisotopic Mass:348.04563003
Topological Polar Surface Area:72
Heavy Atom Count:25
Complexity:612
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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