Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2H-1-Benzopyran-3-carbonitrile
RN: 57543-66-5
InChIKey: NQOLOKKZYCSJRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-N-O

Molecular Weight

  • 157.171
 
* 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

  • 5-18-06-00446 (Beilstein Handbook Reference)
  • BRN 0125853

Systematic Name

  • 2H-1-Benzopyran-3-carbonitrile

Registry Numbers

CAS Registry Number

  • 57543-66-5

System Generated Number

  • 0057543665

Structure Descriptors

InChI

1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2

InChIKey

NQOLOKKZYCSJRL-UHFFFAOYSA-N

Smiles

c12c(OCC(=C1)C#N)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.