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α-Thujaplicin

CAS Registry Number®

1946-74-3

CAS Name

α-Thujaplicin

Molecular Formula

C10H12O2

Molecular Mass

164.20

Cite this Page

α-Thujaplicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1946-74-3 (retrieved 2024-12-25) (CAS RN: 1946-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    58-59 °C @ Press: 5 x 10-3 Torr

  • Melting Point (2)

    34 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)

InChIKey

InChIKey=TUFYVOCKVJOUIR-UHFFFAOYSA-N

SMILES

C(C)(C)C1=C(O)C(=O)C=CC=C1

Canonical SMILES

O=C1C=CC=CC(=C1O)C(C)C

Other Names for this Substance

  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-
  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-isopropyl-
  • 2-Hydroxy-3-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
  • α-Thujaplicin
  • β-Isopropyltropolone

View All

Deleted or Replaced CAS Registry Numbers

552-11-4

CAS INSIGHTSTM
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