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Substance Name: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, isobutyl ester
ID: DJ25015000
InChIKey: LCIQUWSRVOUZHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-O4

Molecular Weight

  • 246.2606
 
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Names and Synonyms

Synonyms

  • 2-Oxo-2H-1-benzopyran-3-carboxylate isobutyl ester
  • Isobutyl coumarin-3-carboxylate

Systematic Name

  • 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, isobutyl ester

Registry Numbers

ID Number

  • NIOSH/DJ2501500

System Generated Number

  • DJ25015000

Structure Descriptors

InChI

1S/C14H14O4/c1-9(2)8-17-13(15)11-7-10-5-3-4-6-12(10)18-14(11)16/h3-7,9H,8H2,1-2H3

InChIKey

LCIQUWSRVOUZHB-UHFFFAOYSA-N

Smiles

o1c(=O)c(cc2ccccc12)C(=O)OCC(C)C