Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetophenone, 3,4,5-trihydroxy-
RN: 33709-29-4
InChIKey: IBKQQKPQRYUGBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.147
 
* 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

  • 3,4,5-Trihydroxyacetophenone
  • 4-08-00-02735 (Beilstein Handbook Reference)
  • BRN 2446387

Systematic Name

  • Acetophenone, 3,4,5-trihydroxy-

Registry Numbers

CAS Registry Number

  • 33709-29-4

System Generated Number

  • 0033709294

Structure Descriptors

InChI

1S/C8H8O4/c1-4(9)5-2-6(10)8(12)7(11)3-5/h2-3,10-12H,1H3

InChIKey

IBKQQKPQRYUGBJ-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)O)O)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 870mg/kg (870mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.650 (none)   EST
Water Solubility 5680 mg/L 25 EXP
Atmospheric OH Rate Constant 1.66E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.