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Substance Name: 5,7-Dimethoxycoumarin
RN: 487-06-9
UNII: JWE1QQ247N
InChIKey: NXJCRELRQHZBQA-UHFFFAOYSA-N

Note

  • Has photobiological activity.

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H10-O4

Molecular Weight

  • 206.196
 
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Names and Synonyms

Name of Substance

  • 5,7-Dimethoxycoumarin

Synonyms

  • 2H-1-Benzopyran-2-one, 5,7-dimethoxy-
  • 5,7-Dimethoxycoumarin
  • 5-18-03-00199 (Beilstein Handbook Reference)
  • AI3-36094
  • BRN 0187066
  • CCRIS 3595
  • Citropten
  • Citroptene
  • EINECS 207-646-4
  • Limettin
  • NSC 102793
  • UNII-JWE1QQ247N

Systematic Names

  • 2H-1-Benzopyran-2-one, 5,7-dimethoxy-
  • 5,7-Dimethoxy-2-benzopyrone
  • Coumarin, 5,7-dimethoxy-
  • Limettin

Registry Numbers

CAS Registry Number

  • 487-06-9

FDA UNII

  • JWE1QQ247N

System Generated Number

  • 0000487069

Structure Descriptors

InChI

1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3

InChIKey

NXJCRELRQHZBQA-UHFFFAOYSA-N

Smiles

COc1cc2c(ccc(=O)o2)c(c1)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 149 deg C   EXP
log P (octanol-water) 1.670 (none)   EST
Atmospheric OH Rate Constant 2.13E-10 cm3/molecule-sec 25 EST

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