5-Benzoylvaleric acid

CAS Registry Number®

4144-62-1

CAS Name

5-Benzoylvaleric acid

Molecular Formula

C12H14O3

Molecular Mass

206.24

Cite this Page

5-Benzoylvaleric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4144-62-1 (retrieved 2024-11-22) (CAS RN: 4144-62-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-78 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)

InChIKey

InChIKey=AIEMSTCGCMIJTI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCCC(=O)C=1C=CC=CC1

Other Names for this Substance

  • Benzenehexanoic acid, ε-oxo-
  • Valeric acid, 5-benzoyl-
  • ε-Oxobenzenehexanoic acid
  • 5-Benzoylvaleric acid
  • δ-Benzoylvaleric acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration