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Substance Name: Benzeneacetic acid, 2-carboxy-alpha-(phenylmethylene)-, (E)-
RN: 41169-10-2
InChIKey: ZMALDBNYMHGLIV-GXDHUFHOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O4

Molecular Weight

  • 268.2668
 
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Names and Synonyms

Synonym

  • (E)-2-Carboxy-alpha-(phenylmethylene)benzeneacetic acid

Systematic Name

  • Benzeneacetic acid, 2-carboxy-alpha-(phenylmethylene)-, (E)-

Registry Numbers

CAS Registry Number

  • 41169-10-2

System Generated Number

  • 0041169102

Structure Descriptors

InChI

1S/C16H12O4/c17-15(18)13-9-5-4-8-12(13)14(16(19)20)10-11-6-2-1-3-7-11/h1-10H,(H,17,18)(H,19,20)/b14-10+

InChIKey

ZMALDBNYMHGLIV-GXDHUFHOSA-N

Smiles

c1ccc(cc1)/C=C(\c2ccccc2C(=O)O)/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 496, 1979.