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Substance Name: 6-(2'-Hydroxypropyl)chromone-2-carboxylate
RN: 141474-83-1
InChIKey: QTCFCURJWADBRO-ZETCQYMHSA-N

Note

  • Urinary metabolite of HPCCA.

Molecular Formula

  • C13-H12-O5

Molecular Weight

  • 248.233
 
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Names and Synonyms

Name of Substance

  • 6-(2'-Hydroxypropyl)chromone-2-carboxylate

Synonyms

  • (R)(-)-6-(2'-Hydroxypropyl)chromone-2-carboxylate
  • (R)-6-(2-Hydroxypropyl)-4-oxo-4H-1-benzopyran-2-carboxylic acid
  • (S)(-)-6-(2'-Hydroxypropyl)chromone-2-carboxylate
  • Methyl-hpcca

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 6-(2-hydroxypropyl)-4-oxo-, (R)-

Registry Numbers

CAS Registry Number

  • 141474-83-1

System Generated Number

  • 0141474831

Structure Descriptors

InChI

1S/C13H12O5/c1-7(14)4-8-2-3-11-9(5-8)10(15)6-12(18-11)13(16)17/h2-3,5-7,14H,4H2,1H3,(H,16,17)/t7-/m0/s1

InChIKey

QTCFCURJWADBRO-ZETCQYMHSA-N

Smiles

c1cc(C[C@H](C)O)cc2c(cc(oc12)C(=O)O)=O