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Substance Name: 4-Chromone
RN: 491-38-3
UNII: 20C556MJ76
InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-O2

Molecular Weight

  • 146.1444
 
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Names and Synonyms

Name of Substance

  • 4-Chromone

Synonyms

  • 4H-1-Benzopyran-4-one
  • 5-17-10-00139 (Beilstein Handbook Reference)
  • Benzo-gamma-pyrone
  • BRN 0114087
  • Chromone
  • EINECS 207-737-9
  • UNII-20C556MJ76

Systematic Names

  • 4H-Benzo(b)pyran-4-one
  • Chromone

Registry Numbers

CAS Registry Number

  • 491-38-3

FDA UNII

  • 20C556MJ76

System Generated Number

  • 0000491383

Structure Descriptors

InChI

1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H

InChIKey

OTAFHZMPRISVEM-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(=O)cco2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 91mg/kg (91mg/kg) BEHAVIORAL: ANTICONVULSANT Progress in Medical Chemistry. Vol. 9, Pg. 65, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 59 deg C   EXP
log P (octanol-water) 1.38 (none)   EXP
Water Solubility 5230 mg/L 25 EST
Vapor Pressure 7.96E-03 mm Hg 25 EST
Henry's Law Constant 8.07E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.09E-11 cm3/molecule-sec 25 EST

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