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Substance Name: Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-
RN: 70170-77-3
InChIKey: XNNJPMYNORHKRV-NTEUORMPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-O4

Molecular Weight

  • 266.251
 
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Names and Synonyms

Synonym

  • 4-((3-Oxo-2(3H)-benzofuranylidene)methyl)benzoic acid

Systematic Name

  • Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-

Registry Numbers

CAS Registry Number

  • 70170-77-3

System Generated Number

  • 0070170773

Structure Descriptors

InChI

1S/C16H10O4/c17-15-12-3-1-2-4-13(12)20-14(15)9-10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)/b14-9+

InChIKey

XNNJPMYNORHKRV-NTEUORMPSA-N

Smiles

c1ccc2c(c1)C(=O)/C(=C\c3ccc(cc3)C(=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,