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Substance Name: Xanthoxyletin
RN: 84-99-1
UNII: 69MPX4M5VD
InChIKey: JSJIIHRNDMLJGK-UHFFFAOYSA-N

Molecular Formula

  • C15-H14-O4

Molecular Weight

  • 258.2716
 
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Names and Synonyms

Name of Substance

  • Xanthoxyletin

Synonyms

  • NSC 35542
  • UNII-69MPX4M5VD
  • Xanthoxyletin
  • Xanthoxylin N

Systematic Name

  • 2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-

Registry Numbers

CAS Registry Number

  • 84-99-1

FDA UNII

  • 69MPX4M5VD

System Generated Number

  • 0000084991

Structure Descriptors

InChI

1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3

InChIKey

JSJIIHRNDMLJGK-UHFFFAOYSA-N

Smiles

CC1(C=Cc2c(cc3c(c2OC)ccc(=O)o3)O1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 133 deg C   EXP
log P (octanol-water) 3.260 (none)   EST
Water Solubility 40 mg/L   EXP
Atmospheric OH Rate Constant 2.69E-10 cm3/molecule-sec 25 EST

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