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Substance Name: Cyclobutaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 97720-34-8
InChIKey: HCTYKFGFWPXGJT-UHFFFAOYSA-N

Molecular Formula

  • C12-H20-O3

Molecular Weight

  • 212.287
 
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Names and Synonyms

Synonyms

  • 1-Cyclobutyl-4-isopropylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclobutyl-4-(1-methylethyl)-

Systematic Name

  • Cyclobutaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-34-8

System Generated Number

  • 0097720348

Structure Descriptors

InChI

1S/C12H20O3/c1-9(2)11-6-13-12(14-7-11,15-8-11)10-4-3-5-10/h9-10H,3-8H2,1-2H3

InChIKey

HCTYKFGFWPXGJT-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)C)C1CCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 375mg/kg (375mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.