4,4-Bis(2-carboxyphenyl) 5-oxo-1,3-dioxolane-4,4-diacetate

CAS Registry Number®

1400-58-4

CAS Name

4,4-Bis(2-carboxyphenyl) 5-oxo-1,3-dioxolane-4,4-diacetate

Molecular Formula

C21H16O11

Molecular Mass

444.35

Cite this Page

4,4-Bis(2-carboxyphenyl) 5-oxo-1,3-dioxolane-4,4-diacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1400-58-4 (retrieved 2024-12-23) (CAS RN: 1400-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H16O11/c22-16(31-14-7-3-1-5-12(14)18(24)25)9-21(20(28)29-11-30-21)10-17(23)32-15-8-4-2-6-13(15)19(26)27/h1-8H,9-11H2,(H,24,25)(H,26,27)

InChIKey

InChIKey=MZRMRMTUUHHONC-UHFFFAOYSA-N

SMILES

C(C(OC1=C(C(O)=O)C=CC=C1)=O)C2(CC(OC3=C(C(O)=O)C=CC=C3)=O)C(=O)OCO2

Canonical SMILES

O=C(O)C=1C=CC=CC1OC(=O)CC2(OCOC2=O)CC(=O)OC=3C=CC=CC3C(=O)O

Other Names for this Substance

  • 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, 4,4-bis(2-carboxyphenyl) ester
  • Novaspirin
  • 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, bis(2-carboxyphenyl) ester
  • 4,4-Bis(2-carboxyphenyl) 5-oxo-1,3-dioxolane-4,4-diacetate
  • Citrosalic acid

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Deleted or Replaced CAS Registry Numbers

53112-35-9

CAS INSIGHTSTM
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