Cas no 1218790-88-5 (4-Hydroxymethyl-3-methylphenylboronic acid)

4-Hydroxymethyl-3-methylphenylboronic acid structure
1218790-88-5 structure
Product Name:4-Hydroxymethyl-3-methylphenylboronic acid
CAS No:1218790-88-5
MF:C8H11BO3
MW:165.982142686844
MDL:MFCD09996880
CID:829205
PubChem ID:46739728
Update Time:2025-04-19

4-Hydroxymethyl-3-methylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-(Hydroxymethyl)-3-methylphenyl)boronic acid
    • [4-(hydroxymethyl)-3-methylphenyl]boronic acid
    • 4-(Hydroxymethyl)-3-methylphenylboronic acid
    • 4-Hydroxymethyl-3-methylphenylboronic acid
    • X1737
    • DB-344707
    • DTXSID20675315
    • (4-(Hydroxymethyl)-3-methylphenyl)boronicacid
    • SCHEMBL14120483
    • MFCD09996880
    • GS-5733
    • CS-0174823
    • H11429
    • 1218790-88-5
    • AKOS006303067
    • 4-Hydroxymethyl-3-methylphenylboronicacid
    • 4-hydroxymethyl-3-methylphenylboronic acid, AldrichCPR
    • Boronic acid, B-[4-(hydroxymethyl)-3-methylphenyl]-
    • MDL: MFCD09996880
    • Inchi: 1S/C8H11BO3/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-4,10-12H,5H2,1H3
    • InChI Key: SLIUMAXFJNQYHZ-UHFFFAOYSA-N
    • SMILES: OCC1C=CC(B(O)O)=CC=1C

Computed Properties

  • Exact Mass: 166.08000
  • Monoisotopic Mass: 166.0801244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 140
  • 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
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • PSA: 60.69000
  • LogP: -0.83290

4-Hydroxymethyl-3-methylphenylboronic acid Security Information

  • Hazard Category Code: 37/38-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi

4-Hydroxymethyl-3-methylphenylboronic acid Pricemore >>

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