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Substance Name: 4-fluoro-alpha-hydroxybenzeneacetic acid
RN: 395-33-5
InChIKey: RWCMOQXHIDWDDJ-UHFFFAOYSA-N

Note

  • An aprepitant urinary metabolite.

Molecular Formula

  • C8-H7-F-O3

Molecular Weight

  • 170.138
 
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Names and Synonyms

Name of Substance

  • 4-fluoro-alpha-hydroxybenzeneacetic acid

Synonym

  • EINECS 206-899-8

Systematic Name

  • 4-Fluoromandelic acid

Registry Numbers

CAS Registry Number

  • 395-33-5

System Generated Number

  • 0000395335

Structure Descriptors

InChI

1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChIKey

RWCMOQXHIDWDDJ-UHFFFAOYSA-N

Smiles

C([C@@H](c1ccc(cc1)F)O)(=O)O