3-[1,3,3a,4,7,7a-Hexahydro-4-(hydroxymethyl)-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl]benzoic acid

CAS Registry Number®

358731-38-1
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CAS Name

3-[1,3,3a,4,7,7a-Hexahydro-4-(hydroxymethyl)-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl]benzoic acid

Molecular Formula

C16H13NO6

Molecular Mass

315.28

Cite this Page

3-[1,3,3a,4,7,7a-Hexahydro-4-(hydroxymethyl)-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=358731-38-1 (retrieved 2024-09-17) (CAS RN: 358731-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147-148 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H13NO6/c18-7-16-5-4-10(23-16)11-12(16)14(20)17(13(11)19)9-3-1-2-8(6-9)15(21)22/h1-6,10-12,18H,7H2,(H,21,22)

InChIKey

InChIKey=RTOIUVQMNQZCCM-UHFFFAOYSA-N

SMILES

C(O)C12C3C(C(O1)C=C2)C(=O)N(C3=O)C4=CC(C(O)=O)=CC=C4

Canonical SMILES

O=C(O)C1=CC=CC(=C1)N2C(=O)C3C4OC(C=C4)(CO)C3C2=O

Other Names for this Substance

  • Benzoic acid, 3-[1,3,3a,4,7,7a-hexahydro-4-(hydroxymethyl)-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl]-
  • 3-[1,3,3a,4,7,7a-Hexahydro-4-(hydroxymethyl)-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl]benzoic acid
  • 3-(1-Hydroxymethyl-3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzoic acid