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Substance Name: Propanoic acid, 3-(3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-
RN: 70170-81-9
InChIKey: QQUQNQBOPOYPKD-LFIBNONCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-O5

Molecular Weight

  • 310.3036
 
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Names and Synonyms

Synonym

  • 3-(3-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)propanoic acid

Systematic Name

  • Propanoic acid, 3-(3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 70170-81-9

System Generated Number

  • 0070170819

Structure Descriptors

InChI

1S/C18H14O5/c19-17(20)8-9-22-13-5-3-4-12(10-13)11-16-18(21)14-6-1-2-7-15(14)23-16/h1-7,10-11H,8-9H2,(H,19,20)/b16-11+

InChIKey

QQUQNQBOPOYPKD-LFIBNONCSA-N

Smiles

c1ccc2c(c1)C(=O)/C(=C\c3cccc(c3)OCCC(=O)O)/O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2829619,