Cas no 875858-78-9 (2-(4-methylphenoxy)methyl-1,3-thiazole-4-carboxylic acid)

2-(4-methylphenoxy)methyl-1,3-thiazole-4-carboxylic acid structure
875858-78-9 structure
Product Name:2-(4-methylphenoxy)methyl-1,3-thiazole-4-carboxylic acid
CAS No:875858-78-9
MF:C12H11NO3S
MW:249.285641908646
MDL:MFCD07841690
CID:3109044
PubChem ID:8902200
Update Time:2025-04-21

2-(4-methylphenoxy)methyl-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
    • 4-Thiazolecarboxylic acid, 2-[(4-methylphenoxy)methyl]-
    • 2-(4-methylphenoxy)methyl-1,3-thiazole-4-carboxylic acid
    • CS-0241690
    • AKOS009084195
    • 2-(4-methylphenoxymethyl)-1,3-thiazole-4-carboxylic acid
    • G42436
    • 2-(4-methylphenoxymethyl)-1,3-thiazole-4-carboxylicacid
    • Z164670558
    • AKB85878
    • EN300-23630
    • 875858-78-9
    • MDL: MFCD07841690
    • Inchi: 1S/C12H11NO3S/c1-8-2-4-9(5-3-8)16-6-11-13-10(7-17-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
    • InChI Key: ULXLKNWQMGIDNW-UHFFFAOYSA-N
    • SMILES: S1C=C(C(O)=O)N=C1COC1=CC=C(C)C=C1

Computed Properties

  • Exact Mass: 249.04596439Da
  • Monoisotopic Mass: 249.04596439Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 266
  • 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: 2.7
  • Topological Polar Surface Area: 87.7?2

2-(4-methylphenoxy)methyl-1,3-thiazole-4-carboxylic acid Pricemore >>

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