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Substance Name: Herniarin
RN: 531-59-9
UNII: DGK72G008A
InChIKey: LIIALPBMIOVAHH-UHFFFAOYSA-N

Note

  • Methoxy analog of umbelliferone.

Molecular Formula

  • C10-H8-O3

Molecular Weight

  • 176.17
 
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Names and Synonyms

Name of Substance

  • Herniarin

Synonyms

  • 5-18-01-00387 (Beilstein Handbook Reference)
  • 7-Methoxy-2H-1-benzopyran-2-one
  • 7-Methoxycoumarin
  • Ayapanin
  • BRN 0141728
  • EINECS 208-513-3
  • Herniarin (6CI)
  • Herniarine
  • METHOXYCOURMARIN, 7-
  • Methylumbelliferone
  • NSC 404559
  • UNII-DGK72G008A

Systematic Names

  • 2H-1-Benzopyran-2-one, 7-methoxy-
  • 7-Methoxycoumarin
  • Coumarin, 7-methoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 531-59-9

FDA UNII

  • DGK72G008A

System Generated Number

  • 0000531599

Structure Descriptors

InChI

1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3

InChIKey

LIIALPBMIOVAHH-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)OC)ccc(o2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 375, 1988.
rat LD50 oral 4300mg/kg (4300mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 375, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.590 (none)   EST
Water Solubility 133 mg/L   EXP
Atmospheric OH Rate Constant 3.30E-11 cm3/molecule-sec 25 EST

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