Cas no 847458-93-9 (Methyl 2-(quinolin-3-yl)acetate)

Methyl 2-(quinolin-3-yl)acetate structure
847458-93-9 structure
Product Name:Methyl 2-(quinolin-3-yl)acetate
CAS No:847458-93-9
MF:C12H11NO2
MW:201.221243143082
CID:1036245
PubChem ID:69716527
Update Time:2025-04-20

Methyl 2-(quinolin-3-yl)acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(quinolin-3-yl)acetate
    • methyl 2-quinolin-3-ylacetate
    • Methyl2-(quinolin-3-yl)acetate
    • 847458-93-9
    • SCHEMBL6239112
    • SB69815
    • Methyl (quinolin-3-yl)acetate
    • DTXSID00741183
    • Inchi: 1S/C12H11NO2/c1-15-12(14)7-9-6-10-4-2-3-5-11(10)13-8-9/h2-6,8H,7H2,1H3
    • InChI Key: RLSIHKPMERGBNM-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1=CN=C2C=CC=CC2=C1)=O

Computed Properties

  • Exact Mass: 201.078978594g/mol
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 230
  • 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
  • Topological Polar Surface Area: 39.2?2

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