3-Methoxybenzenepentanoic acid

CAS Registry Number®

6500-64-7

CAS Name

3-Methoxybenzenepentanoic acid

Molecular Formula

C12H16O3

Molecular Mass

208.25

Cite this Page

3-Methoxybenzenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6500-64-7 (retrieved 2024-12-19) (CAS RN: 6500-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    170-175 °C @ Press: 2 Torr

  • Melting Point (2)

    54-57 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O3/c1-15-11-7-4-6-10(9-11)5-2-3-8-12(13)14/h4,6-7,9H,2-3,5,8H2,1H3,(H,13,14)

InChIKey

InChIKey=VGEQZPKAGFDVHW-UHFFFAOYSA-N

SMILES

C(CCCC(O)=O)C1=CC(OC)=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, 3-methoxy-
  • Valeric acid, 5-(m-methoxyphenyl)-
  • 3-Methoxybenzenepentanoic acid
  • δ-(m-Methoxyphenyl)valeric acid
  • 5-(3-Methoxyphenyl)pentanoic acid

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