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Substance Name: 4,7-Epoxyisobenzofuran-5-acetonitrile, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
RN: 127311-93-7
InChIKey: ZAJNFTZKIBYYRK-BJNUKLAGSA-N

Molecular Formula

  • C10-H9-N-O4

Molecular Weight

  • 207.1841
 
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Names and Synonyms

Synonym

  • 5-endo-(Cyanomethyl)endothall anhydride

Systematic Name

  • 4,7-Epoxyisobenzofuran-5-acetonitrile, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-93-7

System Generated Number

  • 0127311937

Structure Descriptors

InChI

1S/C10H9NO4/c11-2-1-4-3-5-6-7(8(4)14-5)10(13)15-9(6)12/h4-8H,1,3H2/t4-,5+,6-,7-,8-/m0/s1

InChIKey

ZAJNFTZKIBYYRK-BJNUKLAGSA-N

Smiles

C1[C@@H]([C@H]2[C@@H]3[C@H]([C@@H]1O2)C(=O)OC3=O)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 142mg/kg (142mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.