p-Cresol glucuronide
CAS Registry Number®
17680-99-8
CAS Name
p-Cresol glucuronideMolecular Formula
C13H16O7Molecular Mass
284.26Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
30104-39-3
