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Home > Encyclopedia > 1-pyren-1-ylethyl hydrogen sulfate

1-pyren-1-ylethyl hydrogen sulfate

1-pyren-1-ylethyl hydrogen sulfate structure

1-pyren-1-ylethyl hydrogen sulfate 

structure
  • CAS No:

    132769-78-9

  • Formula:

    C18H14O4S

  • Chemical Name:

    1-pyren-1-ylethyl hydrogen sulfate

  • Synonyms:

    132769-78-9;1-Pyren-1-ylethyl hydrogen sulfate;1-(1-Pyrenyl)ethanolsulfate;DTXSID10927815;1-(Pyren-1-yl)ethyl hydrogen sulfate

1-pyren-1-ylethyl hydrogen sulfate Basic Attributes

326.4 g/mol

326.06128010 g/mol

Characteristics

72 Ų

Drug Information

1-Pyren-1-ylethyl hydrogen sulfate is a known human metabolite of 1-(1-pyrenyl)ethanol.

Computed Properties

Molecular Weight:326.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:326.06128010
Monoisotopic Mass:326.06128010
Topological Polar Surface Area:72
Heavy Atom Count:23
Complexity:540
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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