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Substance Name: Sulfuretin
RN: 120-05-8
UNII: M6410VY6MI
InChIKey: RGNXWPVNPFAADO-NSIKDUERSA-N

Note

  • The chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl.

Molecular Formula

  • C15-H10-O5

Molecular Weight

  • 270.239
 
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Names and Synonyms

Name of Substance

  • Sulfuretin

Synonyms

  • 6,3',4'-Trihydroxyaurone
  • Aurone, 6,3',4'-trihydroxy-
  • EINECS 204-366-4
  • UNII-M6410VY6MI

Systematic Name

  • (Z)-2-((3,4-Dihydroxyphenyl)methylene)-6-hydroxy-2H-benzofuran-3-one

Registry Numbers

CAS Registry Number

  • 120-05-8

FDA UNII

  • M6410VY6MI

System Generated Number

  • 0000120058

Structure Descriptors

InChI

1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-

InChIKey

RGNXWPVNPFAADO-NSIKDUERSA-N

Smiles

Oc1ccc2C(=O)\C(=C\c3ccc(O)c(O)c3)\Oc2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 303 deg C   EXP
log P (octanol-water) 2.070 (none)   EST
Atmospheric OH Rate Constant 2.31E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.