Cas no 1500548-32-2 (2-(Quinolin-7-yl)propanoic acid)

2-(Quinolin-7-yl)propanoic acid structure
1500548-32-2 structure
Product Name:2-(Quinolin-7-yl)propanoic acid
CAS No:1500548-32-2
MF:C12H11NO2
MW:201.221243143082
CID:5746976
PubChem ID:17885853
Update Time:2023-11-11

2-(Quinolin-7-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 1500548-32-2
    • EN300-1137990
    • AKOS019795121
    • 2-(quinolin-7-yl)propanoic acid
    • 2-(quinolin-7-yl)propanoicacid
    • 7-Quinolineacetic acid, α-methyl-
    • 2-(Quinolin-7-yl)propanoic acid
    • Inchi: 1S/C12H11NO2/c1-8(12(14)15)10-5-4-9-3-2-6-13-11(9)7-10/h2-8H,1H3,(H,14,15)
    • InChI Key: NUGISDPGHPGKAW-UHFFFAOYSA-N
    • SMILES: OC(C(C)C1C=CC2=CC=CN=C2C=1)=O

Computed Properties

  • Exact Mass: 201.078978594g/mol
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.246±0.06 g/cm3(Predicted)
  • Boiling Point: 380.3±17.0 °C(Predicted)
  • pka: 3.94±0.30(Predicted)

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