Cas no 181373-11-5 (4-Hydroxy Kresoxim-methyl Carboxylic Acid)

4-Hydroxy Kresoxim-methyl Carboxylic Acid is a key intermediate in the synthesis of strobilurin fungicides, notably Kresoxim-methyl. This compound exhibits structural features essential for fungicidal activity, including a hydroxy-substituted aromatic ring and a carboxylic acid moiety, which enhance its reactivity and versatility in chemical modifications. Its primary advantage lies in its role as a precursor, enabling efficient production of high-performance agricultural fungicides with broad-spectrum efficacy against plant pathogens. The compound’s stability and compatibility with further functionalization make it valuable for research and industrial applications. Its precise molecular structure ensures consistent performance in formulations targeting crop protection.
4-Hydroxy Kresoxim-methyl Carboxylic Acid structure
181373-11-5 structure
Product Name:4-Hydroxy Kresoxim-methyl Carboxylic Acid
CAS No:181373-11-5
MF:C17H17NO5
MW:315.320585012436
CID:1064733
PubChem ID:71749084
Update Time:2025-06-07

4-Hydroxy Kresoxim-methyl Carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Hydroxy Kresoxim-methyl Carboxylic Acid
    • (2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetic acid
    • 2-[(4-Hydroxy-2-Methylphenoxy)Methyl]-α-(MethoxyiMino)benzeneacetic Acid
    • BENZENEACETIC ACID, 2-((4-HYDROXY-2-METHYLPHENOXY)METHYL)-.ALPHA.-(METHOXYIMINO)-, (.ALPHA.E)-
    • Benzeneacetic acid, 2-((4-hydroxy-2-methylphenoxy)methyl)-alpha-(methoxyimino)-, (alphaE)-
    • (E)-2-(2-(4-Hydroxy-2-methylphenoxy)-methyl)phenyl-2-(methoxyimido)acetic acid
    • 2-(2-(4-Hydroxy-2-methylphenoxy)-methyl)phenyl-2-(methoxyimido)acetic acid
    • UNII-ZIX3963B4E
    • 1639810-29-9
    • 2-(2-((4-Hydroxy-2-methylphenoxy)methyl)phenyl)-2-(methoxyimino)acetic acid
    • 181373-11-5
    • ZIX3963B4E
    • Inchi: 1S/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+
    • InChI Key: HEMVDCDJEKCCCZ-FBMGVBCBSA-N
    • SMILES: O(C1C=CC(=CC=1C)O)CC1C=CC=CC=1/C(/C(=O)O)=N\OC

Computed Properties

  • Exact Mass: 315.11100
  • Monoisotopic Mass: 315.11067264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 88.4?2

Experimental Properties

  • PSA: 88.35000
  • LogP: 2.71470

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