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Substance Name: 1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
RN: 28673-50-9
InChIKey: IOUHTAWCGAWYMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-O2

Molecular Weight

  • 222.326
 
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Names and Synonyms

Synonyms

  • 4-Cyclohexyl-1-cyclohexene-1-acetic acid
  • Acetic acid, (4-cyclohexyl-1-cyclohexen-1-yl)-
  • Acide (cyclohexyl-4 cyclohexen-1 yl) acetique
  • Acide (cyclohexyl-4 cyclohexen-1 yl) acetique [French]

Systematic Name

  • 1-Cyclohexene-1-acetic acid, 4-cyclohexyl-

Registry Numbers

CAS Registry Number

  • 28673-50-9

System Generated Number

  • 0028673509

Structure Descriptors

InChI

1S/C14H22O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6,12-13H,1-5,7-10H2,(H,15,16)

InChIKey

IOUHTAWCGAWYMR-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CC1)C1CCCCC1)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Belgian Patent Document. Vol. #740469,
mouse LD50 oral > 750mg/kg (750mg/kg)   Belgian Patent Document. Vol. #740469,