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Substance Name: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-phenyl-, (2-exo,3-exo,5-endo)-
RN: 109282-34-0
InChIKey: HNXJFWNLSTYCNJ-PREPNJAASA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C14-H14-O5

Molecular Weight

  • 262.2596
 
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Names and Synonyms

Synonym

  • (2-exo,3-exo,5-endo)-5-Phenyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid

Systematic Name

  • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-phenyl-, (2-exo,3-exo,5-endo)-

Registry Numbers

CAS Registry Number

  • 109282-34-0

System Generated Number

  • 0109282340

Structure Descriptors

InChI

1S/C14H14O5/c15-13(16)10-9-6-8(7-4-2-1-3-5-7)12(19-9)11(10)14(17)18/h1-5,8-12H,6H2,(H,15,16)(H,17,18)/t8-,9-,10+,11+,12+/m0/s1

InChIKey

HNXJFWNLSTYCNJ-PREPNJAASA-N

Smiles

c1ccc(cc1)[C@@H]2C[C@H]3[C@H]([C@H]([C@@H]2O3)C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 823, 1987.