Pyrocatechol sulfate
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Pyrocatechol sulfate
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CAS No:
4918-96-1
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Formula:
C6H6O5S
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Chemical Name:
Pyrocatechol sulfate
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Synonyms:
1,2-Benzenediol,1-(hydrogen sulfate);Pyrocatechol,mono(hydrogen sulfate);1,2-Benzenediol,mono(hydrogen sulfate);Pyrocatechol,hydrogen sulfate;Pyrocatechol sulfate;(2-Hydroxyphenyl)oxidanesulfonic acid
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CAS No:
Description
Solid
Pyrocatechol sulfate is an aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group. It has a role as a xenobiotic. It is an aryl sulfate and a member of phenols. It derives from a catechol. It is a conjugate acid of a pyrocatechol sulfate(1-).
Computed Properties
Molecular Weight:190.18
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:189.99359446
Monoisotopic Mass:189.99359446
Topological Polar Surface Area:92.2
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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