Cas no 88469-71-0 (5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-)

5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl- structure
88469-71-0 structure
Product Name:5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-
CAS No:88469-71-0
MF:C13H11NO4S
MW:277.295742273331
CID:631530
PubChem ID:13114377
Update Time:2025-04-19

5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-
    • 4-(acetyloxymethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
    • 88469-71-0
    • DTXSID40518997
    • 4-[(Acetyloxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
    • Inchi: 1S/C13H11NO4S/c1-8(15)18-7-10-11(13(16)17)19-12(14-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)
    • InChI Key: YYMZLWNKUKGLEY-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(COC(C)=O)N=C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 277.04087901g/mol
  • Monoisotopic Mass: 277.04087901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 344
  • 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: 2.2
  • Topological Polar Surface Area: 105?2

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