4-(Methylsulfonyl)benzenepropanoic acid

CAS Registry Number®

387350-46-1
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CAS Name

4-(Methylsulfonyl)benzenepropanoic acid

Molecular Formula

C10H12O4S

Molecular Mass

228.26

Cite this Page

4-(Methylsulfonyl)benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=387350-46-1 (retrieved 2024-07-06) (CAS RN: 387350-46-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)

InChIKey

InChIKey=ZZZBVBATZOAPQB-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C1=CC=C(CCC(O)=O)C=C1

Canonical SMILES

O=C(O)CCC1=CC=C(C=C1)S(=O)(=O)C

Other Names for this Substance

  • Benzenepropanoic acid, 4-(methylsulfonyl)-
  • 4-(Methylsulfonyl)benzenepropanoic acid
  • 3-[4-(Methylsulfonyl)phenyl]propanoic acid
  • 4-Methylsulfonylbenzenepropanoic acid