Cas no 16499-51-7 (quinazoline-4-caboxylic acid)

quinazoline-4-caboxylic acid structure
quinazoline-4-caboxylic acid structure
Product Name:quinazoline-4-caboxylic acid
CAS No:16499-51-7
MF:C9H6N2O2
MW:174.156141757965
MDL:MFCD09035080
CID:2127557
PubChem ID:23008716
Update Time:2024-11-01

quinazoline-4-caboxylic acid Chemical and Physical Properties

Names and Identifiers

    • quinazoline-4-carboxylic acid
    • Quinazoline-4-caboxylic acid
    • 4-Quinazolinecarboxylic acid
    • 4-Quinazolinecarboxylicacid
    • UGTWMWCZTAKZGE-UHFFFAOYSA-N
    • AB49442
    • SCHEMBL2833079
    • CS-0055708
    • P10670
    • quinazoline, 4-carboxy-
    • EN300-313002
    • 16499-51-7
    • DA-16697
    • AKOS004123245
    • quinazoline-4-caboxylic acid
    • MDL: MFCD09035080
    • Inchi: 1S/C9H6N2O2/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H,12,13)
    • InChI Key: UGTWMWCZTAKZGE-UHFFFAOYSA-N
    • SMILES: OC(C1=C2C=CC=CC2=NC=N1)=O

Computed Properties

  • Exact Mass: 174.042927438g/mol
  • Monoisotopic Mass: 174.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 208
  • 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: 0.8
  • Topological Polar Surface Area: 63.1

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