Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3,5-diallyl-4-propoxy-
RN: 100311-35-1
InChIKey: KISJXFJRHVRMSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-O3

Molecular Weight

  • 260.331
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3,5-Diallyl-4-propoxybenzoic acid
  • BRN 2657489

Systematic Name

  • Benzoic acid, 3,5-diallyl-4-propoxy-

Registry Numbers

CAS Registry Number

  • 100311-35-1

System Generated Number

  • 0100311351

Structure Descriptors

InChI

1S/C16H20O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h4-5,10-11H,1-2,6-9H2,3H3,(H,17,18)

InChIKey

KISJXFJRHVRMSH-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1CC=C)CC=C)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.