α,α,3,5-Tetramethyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

898765-45-2
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CAS Name

α,α,3,5-Tetramethyl-γ-oxobenzenebutanoic acid

Molecular Formula

C14H18O3

Molecular Mass

234.29

Cite this Page

α,α,3,5-Tetramethyl-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898765-45-2 (retrieved 2024-09-07) (CAS RN: 898765-45-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-106 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H18O3/c1-9-5-10(2)7-11(6-9)12(15)8-14(3,4)13(16)17/h5-7H,8H2,1-4H3,(H,16,17)

InChIKey

InChIKey=JOJHIRMHBUHMEQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C(C)(C)CC(=O)C=1C=C(C=C(C1)C)C

Other Names for this Substance

  • Benzenebutanoic acid, α,α,3,5-tetramethyl-γ-oxo-
  • α,α,3,5-Tetramethyl-γ-oxobenzenebutanoic acid