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Substance Name: 1H,3H-4,7-Epoxy-3a,7a-propanoisobenzofuran-1,3-dione, tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
RN: 115966-98-8
InChIKey: PEKHINVAKVDWJS-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-O4

Molecular Weight

  • 208.212
 
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Names and Synonyms

Synonym

  • Tetrahydro-1H,3H-4beta,7beta-epoxy-3aalpha,7aalpha-propanoisobenzofuran-1,3-dione

Systematic Name

  • 1H,3H-4,7-Epoxy-3a,7a-propanoisobenzofuran-1,3-dione, tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 115966-98-8

System Generated Number

  • 0115966988

Structure Descriptors

InChI

1S/C11H12O4/c12-8-10-4-1-5-11(10,9(13)15-8)7-3-2-6(10)14-7/h6-7H,1-5H2

InChIKey

PEKHINVAKVDWJS-UHFFFAOYSA-N

Smiles

C1C[C@@H]2[C@@]34C(OC([C@@]3([C@@H]1O2)CCC4)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500ug/kg (1.5mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.