Cas no 763024-93-7 (2-(Isoquinolin-4-yl)acetic acid)

2-(Isoquinolin-4-yl)acetic acid is a heterocyclic carboxylic acid derivative featuring an isoquinoline core linked to an acetic acid functional group. This compound serves as a versatile intermediate in organic synthesis and medicinal chemistry, particularly in the development of pharmacologically active molecules. Its structural framework allows for further derivatization, making it valuable for constructing complex heterocyclic systems. The presence of both the isoquinoline moiety and the carboxylic acid group enhances its utility in metal coordination chemistry and as a building block for bioactive compounds. High purity and well-defined reactivity contribute to its reliability in research and industrial applications.
2-(Isoquinolin-4-yl)acetic acid structure
763024-93-7 structure
Product Name:2-(Isoquinolin-4-yl)acetic acid
CAS No:763024-93-7
MF:C11H9NO2
MW:187.194662809372
CID:1084572
PubChem ID:22226555
Update Time:2025-06-07

2-(Isoquinolin-4-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Isoquinolin-4-yl)acetic acid
    • 4-Isoquinolinylacetic acid
    • 763024-93-7
    • CS-0345749
    • SCHEMBL3711732
    • ZGDYWQBWFDTHJW-UHFFFAOYSA-N
    • AKOS013253934
    • A917707
    • 2-(isoquinolin-4-yl)aceticacid
    • 2-isoquinolin-4-ylacetic acid
    • F1909-1800
    • EN300-302139
    • DB-154161
    • 4-Isoquinolineacetic acid
    • Inchi： 1S/C11H9NO2/c13-11(14)5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5H2,(H,13,14)
    • InChI Key： ZGDYWQBWFDTHJW-UHFFFAOYSA-N
    • SMILES： OC(CC1C=NC=C2C=CC=CC=12)=O

Computed Properties

  • Exact Mass: 187.063328530g/mol
  • 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: 1.6
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Boiling Point: 411.6±20.0°C at 760 mmHg

2-(Isoquinolin-4-yl)acetic acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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Chemenu
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Enamine
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Enamine
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