rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione

CAS Registry Number®

28871-91-2

CAS Name

rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione

Molecular Formula

C8H9NO3

Molecular Mass

167.16

Cite this Page

rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28871-91-2 (retrieved 2024-12-19) (CAS RN: 28871-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C8H9NO3/c10-7-5-3-1-2-4(12-3)6(5)8(11)9-7/h3-6H,1-2H2,(H,9,10,11)/t3-,4+,5-,6+

InChIKey

InChIKey=VKWSKNKAHKHDRI-FBXFSONDNA-N

SMILES

O=C1[C@@]2([C@@]([C@@]3(O[C@]2(CC3)[H])[H])(C(=O)N1)[H])[H]

Canonical SMILES

O=C1NC(=O)C2C3OC(CC3)C12

Other Names for this Substance

  • 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-
  • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboximide, exo-
  • 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-, (3aα,4β,7β,7aα)-
  • rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione
  • 7-Oxabicyclo[2.2.1]heptane-2,3-exo-cis-dicarboximide

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Deleted or Replaced CAS Registry Numbers

4938-63-0

CAS INSIGHTSTM
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