Cas no 104785-55-9 (2,4-Dimethylquinoline-3-carboxylic acid)

2,4-Dimethylquinoline-3-carboxylic acid structure
104785-55-9 structure
Product Name:2,4-Dimethylquinoline-3-carboxylic acid
CAS No:104785-55-9
MF:C12H11NO2
MW:201.221243143082
MDL:MFCD07324847
CID:195910
PubChem ID:4962743
Update Time:2025-04-19

2,4-Dimethylquinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dimethylquinoline-3-carboxylic acid
    • 2,4-dimethylquinoline-3-carboxylate
    • 3-Quinolinecarboxylic acid, 2,4-dimethyl-
    • DTXSID20407158
    • NCGC00332078-01
    • Z94601376
    • AB01325895-02
    • 2,4-Dimethylquinoline-3-carboxylicacid
    • CS-0308905
    • AKOS009016587
    • SCHEMBL10265349
    • FT-0753403
    • AS-64155
    • SR-01000072424
    • SR-01000072424-1
    • SB69058
    • A11857
    • 104785-55-9
    • EN300-13941
    • SY067745
    • MFCD07324847
    • DB-059195
    • MDL： MFCD07324847
    • Inchi： 1S/C12H11NO2/c1-7-9-5-3-4-6-10(9)13-8(2)11(7)12(14)15/h3-6H,1-2H3,(H,14,15)
    • InChI Key： IXSPGXNTIAITRL-UHFFFAOYSA-N
    • SMILES： OC(C1=C(C)N=C2C=CC=CC2=C1C)=O

Computed Properties

  • Exact Mass: 200.0712
  • 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: 1
  • Complexity: 254
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 354.1±37.0 °C at 760 mmHg
  • Flash Point: 167.9±26.5 °C
  • PSA: 53.02
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2,4-Dimethylquinoline-3-carboxylic acid Security Information

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