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Substance Name: Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)- (9CI)
RN: 4743-57-1
InChIKey: XKMGDVJBAWUUDZ-YVMONPNESA-N

Molecular Formula

  • C10-H6-O4

Molecular Weight

  • 190.153
 
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Names and Synonyms

Synonyms

  • (3-Oxo-1(3H)-isobenzofuranylidene)acetic acid
  • 3-Carboxymethylenephthalide
  • 3-Oxo-delta(sup 1,alpha)-phthalanacetic acid
  • AI3-18620

Systematic Names

  • Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)-
  • Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)- (9CI)
  • delta(sup 1,alpha)-Phthalanacetic acid, 3-oxo-

Registry Numbers

CAS Registry Number

  • 4743-57-1

System Generated Number

  • 0004743571

Structure Descriptors

InChI

1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)/b8-5-

InChIKey

XKMGDVJBAWUUDZ-YVMONPNESA-N

Smiles

C1(\OC(=O)c2c1cccc2)=C/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953.