3-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one

CAS Registry Number®

53666-73-2

CAS Name

3-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one

Molecular Formula

C14H16O3

Molecular Mass

232.27

Cite this Page

3-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53666-73-2 (retrieved 2024-11-26) (CAS RN: 53666-73-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H16O3/c1-3-4-5-12-9(2)11-7-6-10(15)8-13(11)17-14(12)16/h6-8,15H,3-5H2,1-2H3

InChIKey

InChIKey=NAYSXHKASBQZRG-UHFFFAOYSA-N

SMILES

CC=1C=2C(OC(=O)C1CCCC)=CC(O)=CC2

Canonical SMILES

O=C1OC=2C=C(O)C=CC2C(=C1CCCC)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-
  • Coumarin, 3-butyl-7-hydroxy-4-methyl-
  • Umbelliferone, 3-butyl-4-methyl-
  • 3-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
  • 3-Butyl-7-hydroxy-4-methylcoumarin

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