Cas no 152150-04-4 (2-(Quinolin-8-yl)acetic acid)

2-(Quinolin-8-yl)acetic acid is a quinoline-derived carboxylic acid with a molecular formula of C11H9NO2. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination chemistry applications. Its quinoline scaffold offers structural rigidity and electron-rich properties, making it useful in metal-chelating ligands and catalytic systems. The acetic acid moiety provides a reactive handle for further functionalization, enabling derivatization via esterification, amidation, or coupling reactions. The compound exhibits moderate solubility in polar organic solvents, facilitating its use in solution-phase reactions. Its stability under standard conditions ensures reliable handling and storage. Researchers value this building block for its synthetic flexibility in constructing complex heterocyclic frameworks.
2-(Quinolin-8-yl)acetic acid structure
2-(Quinolin-8-yl)acetic acid structure
Product Name:2-(Quinolin-8-yl)acetic acid
CAS No:152150-04-4
MF:C11H9NO2
MW:187.194662809372
MDL:MFCD08691265
CID:904012
PubChem ID:16227542
Update Time:2025-06-09

2-(Quinolin-8-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Quinolin-8-yl)acetic acid
    • QUINOLIN-8-YL-ACETIC ACID
    • HXXDDZQNKIORGO-UHFFFAOYSA-N
    • FS-2525
    • CGA15004
    • quinolin-8-ylacetic acid
    • SCHEMBL3711541
    • AB01315342-02
    • (Quinolin-8-yl)acetic acid
    • CS-0215577
    • EN300-26267
    • SB68244
    • 152150-04-4
    • s12155
    • CCG-354108
    • AKOS000302055
    • NCGC00320321-01
    • A884037
    • DTXSID80585421
    • MFCD08691265
    • STL190846
    • Z221523762
    • 2-quinolin-8-ylacetic acid
    • 8-Quinolinylacetic acid, AldrichCPR
    • MDL: MFCD08691265
    • Inchi: 1S/C11H9NO2/c13-10(14)7-9-4-1-3-8-5-2-6-12-11(8)9/h1-6H,7H2,(H,13,14)
    • InChI Key: HXXDDZQNKIORGO-UHFFFAOYSA-N
    • SMILES: OC(CC1=CC=CC2=CC=CN=C12)=O

Computed Properties

  • Exact Mass: 187.06337
  • Monoisotopic Mass: 187.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19

2-(Quinolin-8-yl)acetic acid Security Information

  • HazardClass:IRRITANT

2-(Quinolin-8-yl)acetic acid Pricemore >>

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