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Substance Name: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)-
RN: 109282-32-8
InChIKey: AXYXTSFNIIJZED-VEIUFWFVSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C9-H12-O6

Molecular Weight

  • 216.1878
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 109282-32-8

System Generated Number

  • 0109282328

Structure Descriptors

InChI

1S/C9H12O6/c10-2-3-1-4-5(8(11)12)6(9(13)14)7(3)15-4/h3-7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4-,5+,6+,7+/m1/s1

InChIKey

AXYXTSFNIIJZED-VEIUFWFVSA-N

Smiles

C1[C@@H]([C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)O)C(=O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 823, 1987.