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Substance Name: Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol
RN: 70637-00-2
InChIKey: AABIHIQZAWJEDT-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-O3

Molecular Weight

  • 206.2396
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-methyl-1-phenyl-
  • BRN 4439813

Systematic Name

  • Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 70637-00-2

System Generated Number

  • 0070637002

Structure Descriptors

InChI

1S/C12H14O3/c1-11-7-13-12(14-8-11,15-9-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

InChIKey

AABIHIQZAWJEDT-UHFFFAOYSA-N

Smiles

CC12COC(OC1)(OC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.