Fraxinellone

CAS Registry Number®

28808-62-0
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CAS Name

Fraxinellone

Molecular Formula

C14H16O3

Molecular Mass

232.27

Cite this Page

Fraxinellone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28808-62-0 (retrieved 2024-08-18) (CAS RN: 28808-62-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1

InChIKey

InChIKey=XYYAFLHHHZVPRN-GXTWGEPZSA-N

SMILES

C[C@]12[C@@H](OC(=O)C1=C(C)CCC2)C=3C=COC3

Canonical SMILES

O=C1OC(C2=COC=C2)C3(C1=C(C)CCC3)C

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)-
  • Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-
  • 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)-
  • (3R,3aR)-3-(3-Furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-1(3H)-isobenzofuranone
  • Fraxinellone