p-Nitrophenyl β-D-glucuronide

CAS Registry Number®

10344-94-2
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CAS Name

p-Nitrophenyl β-D-glucuronide

Molecular Formula

C12H13NO9

Molecular Mass

315.23

Cite this Page

p-Nitrophenyl β-D-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10344-94-2 (retrieved 2024-04-23) (CAS RN: 10344-94-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-139 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1

InChIKey

InChIKey=QSUILVWOWLUOEU-GOVZDWNOSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-nitrophenyl
  • Glucopyranosiduronic acid, p-nitrophenyl, β-D-
  • Glucopyranosiduronic acid, p-nitrophenyl
  • 4-Nitrophenyl β-D-glucopyranosiduronic acid
  • p-Nitrophenyl β-D-glucosiduronic acid

Deleted or Replaced CAS Registry Numbers

10345-03-6, 29894-08-4, 30401-49-1, 31693-92-2, 89714-09-0, 355402-62-9

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