Trepibutone

CAS Registry Number®

41826-92-0
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CAS Name

Trepibutone

Molecular Formula

C16H22O6

Molecular Mass

310.34

Cite this Page

Trepibutone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=41826-92-0 (retrieved 2024-04-25) (CAS RN: 41826-92-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)

InChIKey

InChIKey=YPTFHLJNWSJXKG-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)(=O)C1=C(OCC)C=C(OCC)C(OCC)=C1

Canonical SMILES

O=C(O)CCC(=O)C1=CC(OCC)=C(OCC)C=C1OCC

Other Names for this Substance

  • Benzenebutanoic acid, 2,4,5-triethoxy-γ-oxo-
  • 2,4,5-Triethoxy-γ-oxobenzenebutanoic acid
  • AA 149
  • Trepibutone
  • Supacal

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