p-Cresol glucuronide

CAS Registry Number®

17680-99-8
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CAS Name

p-Cresol glucuronide

Molecular Formula

C13H16O7

Molecular Mass

284.26

Cite this Page

p-Cresol glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17680-99-8 (retrieved 2024-07-08) (CAS RN: 17680-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145-149 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1

InChIKey

InChIKey=JPAUCQAJHLSMQW-XPORZQOISA-N

SMILES

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=C(C)C=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-methylphenyl
  • Glucopyranosiduronic acid, p-tolyl, β-D-
  • β-D-Glucosiduronic acid, p-tolyl
  • 4-Methylphenyl β-D-glucopyranosiduronic acid
  • p-Tolyl-β-glucuronic acid

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Deleted or Replaced CAS Registry Numbers

30104-39-3