7-(1,1-Dimethylethyl)-2H-1,5-benzodioxepin-3(4H)-one

CAS Registry Number®

195251-91-3

CAS Name

7-(1,1-Dimethylethyl)-2H-1,5-benzodioxepin-3(4H)-one

Molecular Formula

C13H16O3

Molecular Mass

220.26

Cite this Page

7-(1,1-Dimethylethyl)-2H-1,5-benzodioxepin-3(4H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=195251-91-3 (retrieved 2024-12-23) (CAS RN: 195251-91-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    66-68 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O3/c1-13(2,3)9-4-5-11-12(6-9)16-8-10(14)7-15-11/h4-6H,7-8H2,1-3H3

InChIKey

InChIKey=VFQHMVHBTUURKJ-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C=1C=C2C(=CC1)OCC(=O)CO2

Canonical SMILES

O=C1COC2=CC=C(C=C2OC1)C(C)(C)C

Other Names for this Substance

  • 2H-1,5-Benzodioxepin-3(4H)-one, 7-(1,1-dimethylethyl)-
  • 7-(1,1-Dimethylethyl)-2H-1,5-benzodioxepin-3(4H)-one

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