1,2,3,6,7,7a-Hexahydro-1-oxo-2-phenyl-3a,6-epoxy-3aH-isoindole-7-carboxylic acid

CAS Registry Number®

14691-95-3
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CAS Name

1,2,3,6,7,7a-Hexahydro-1-oxo-2-phenyl-3a,6-epoxy-3aH-isoindole-7-carboxylic acid

Molecular Formula

C15H13NO4

Molecular Mass

271.27

Cite this Page

1,2,3,6,7,7a-Hexahydro-1-oxo-2-phenyl-3a,6-epoxy-3aH-isoindole-7-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14691-95-3 (retrieved 2024-08-06) (CAS RN: 14691-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184-185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H13NO4/c17-13-12-11(14(18)19)10-6-7-15(12,20-10)8-16(13)9-4-2-1-3-5-9/h1-7,10-12H,8H2,(H,18,19)

InChIKey

InChIKey=JBIMAHPIXSSPOO-UHFFFAOYSA-N

SMILES

C(O)(=O)C1C2C3(CN(C2=O)C4=CC=CC=C4)OC1C=C3

Canonical SMILES

O=C(O)C1C2OC3(C=C2)CN(C=4C=CC=CC4)C(=O)C13

Other Names for this Substance

  • 3a,6-Epoxy-3aH-isoindole-7-carboxylic acid, 1,2,3,6,7,7a-hexahydro-1-oxo-2-phenyl-
  • 1,2,3,6,7,7a-Hexahydro-1-oxo-2-phenyl-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
  • 1-Oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epioxido-isoindole-7-carboxylic acid