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Substance Name: 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a-methyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
RN: 127380-62-5
InChIKey: RJXMWQSSXZMNIT-OLHMAJIHSA-N

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Synonyms

  • BRN 4938182
  • Hexahydro-3a-methyl-4,7-epoxyisobenzofuran-1,3-dione, (3a-alpha,4-beta,7-beta,7a-alpha)-

Systematic Name

  • 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a-methyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127380-62-5

System Generated Number

  • 0127380625

Structure Descriptors

InChI

1S/C9H10O4/c1-9-5-3-2-4(12-5)6(9)7(10)13-8(9)11/h4-6H,2-3H2,1H3/t4-,5+,6+,9+/m1/s1

InChIKey

RJXMWQSSXZMNIT-OLHMAJIHSA-N

Smiles

C[C@]12[C@@H]3CC[C@H]([C@H]1C(=O)OC2=O)O3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3100ug/kg (3.1mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.