Cas no 28691-46-5 (6-amino-1,2-benzoxazole-3-carboxylic Acid)

6-amino-1,2-benzoxazole-3-carboxylic Acid structure
28691-46-5 structure
Product Name:6-amino-1,2-benzoxazole-3-carboxylic Acid
CAS No:28691-46-5
MF:C8H6N2O3
MW:178.14484167099
CID:1435671
PubChem ID:83816740
Update Time:2025-04-20

6-amino-1,2-benzoxazole-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 6-amino-1,2-benzoxazole-3-carboxylic Acid
    • as-Triazine-5-carboxamide, 6-amino-, hydrazone (8CI)
    • 6-amino-benz[d]isoxazole-3-carboxylic acid
    • 6-Amino-asymm.-triazin-5-carbonsaeureamidrazon
    • 6-amino-N-ethyl-[1,2,4]triazine-5-carbohydrazonic acid amide
    • 6-Amino-benz[d]isoxazol-3-carbonsaeure
    • 6-Amino-3-carboxybenzisoxazol
    • 6-amino-benzo[d]isoxazole-3-carboxylic acid
    • as-Triazine-5-carboxamide, 6-amino-, hydrazone (8CI); 6-amino-benz[d]isoxazole-3-carboxylic acid; 6-Amino-asymm.-triazin-5-carbonsaeureamidrazon; 6-amino-N-ethyl-[1,2,4]triazine-5-carbohydrazonic acid amide; 6-Amino-benz[d]isoxazol-3-carbonsaeure; 6-Amino-3-carboxybenzisoxazol; 6-amino-benzo[d]isoxazole-3-carboxylic acid;
    • 6-Aminobenzo[d]isoxazole-3-carboxylic acid
    • 6-Aminobenzo[d]isoxazole-3-carboxylicacid
    • A924621
    • 28691-46-5
    • SCHEMBL17442847
    • Inchi: 1S/C8H6N2O3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,9H2,(H,11,12)
    • InChI Key: IHGYQPFVLLGJAW-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=CC=2C(C(=O)O)=N1)N

Computed Properties

  • Exact Mass: 178.03784206g/mol
  • Monoisotopic Mass: 178.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 221
  • 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: 0.9
  • Topological Polar Surface Area: 89.4?2

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