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Substance Name: 1-Oxaspiro(2,5)octane-2-carboxylic acid, tert-butyl ester
RN: 73806-22-1
InChIKey: BQXGKJSFHPFNBH-UHFFFAOYSA-N

Molecular Formula

  • C12-H20-O3

Molecular Weight

  • 212.287
 
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Names and Synonyms

Synonyms

  • 5-18-06-00079 (Beilstein Handbook Reference)
  • BRN 0152224
  • tert-Butyl 1,alpha-epoxycyclohexylideneacetate

Systematic Name

  • 1-Oxaspiro(2,5)octane-2-carboxylic acid, tert-butyl ester

Registry Numbers

CAS Registry Number

  • 73806-22-1

System Generated Number

  • 0073806221

Structure Descriptors

InChI

1S/C12H20O3/c1-11(2,3)15-10(13)9-5-4-6-12(14-9)7-8-12/h9H,4-8H2,1-3H3

InChIKey

BQXGKJSFHPFNBH-UHFFFAOYSA-N

Smiles

C12(O[C@@H](C(OC(C)(C)C)=O)CCC2)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05353,