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Substance Name: Orthobenzoic acid, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-02-0
InChIKey: VHONOZBCNVITPY-UHFFFAOYSA-N

Molecular Formula

  • C17-H22-O3

Molecular Weight

  • 274.358
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-4-cyclohexylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-cyclohexyl-1-phenyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97720-02-0

System Generated Number

  • 0097720020

Structure Descriptors

InChI

1S/C17H22O3/c1-3-7-14(8-4-1)16-11-18-17(19-12-16,20-13-16)15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2

InChIKey

VHONOZBCNVITPY-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C1CCCCC1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5600ug/kg (5.6mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.