Cas no 170230-88-3 (3-Borono-4-methylbenzoic acid)

3-Borono-4-methylbenzoic acid structure
3-Borono-4-methylbenzoic acid structure
Product Name:3-Borono-4-methylbenzoic acid
CAS No:170230-88-3
MF:C8H9BO4
MW:179.965662717819
MDL:MFCD08061639
CID:139347
PubChem ID:18980142
Update Time:2025-04-18

3-Borono-4-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Borono-4-methylbenzoic acid
    • 5-Carboxy-2-methylphenylboronic acid
    • Benzoic acid,3-borono-4-methyl-
    • (2-Methyl-5-Carboxyphenyl)boronic acid
    • REF DUPL: 5-Carboxy-2-methylphenylboronic acid
    • 5-Carboxy-2-methylphenylboronicacid
    • PubChem17390
    • OEGYTHZGLBLPCE-UHFFFAOYSA-N
    • BCP13675
    • FCH858200
    • 3-(Dihydroxyboryl)-4-methylbenzoic acid
    • OR360884
    • AX8212810
    • X0568
    • ST24041808
    • ref
    • SCHEMBL379961
    • MFCD08061639
    • EN300-303789
    • A852975
    • SB34200
    • 3-(DIHYDROXYBORANYL)-4-METHYLBENZOIC ACID
    • AMY3489
    • FT-0732137
    • 3-Borono-4-methylbenzoicacid
    • AKOS006287158
    • 170230-88-3
    • CS-0043000
    • DTXSID80597069
    • DS-15229
    • VGA23088
    • DB-000884
    • 803-125-6
    • DTXCID00547829
    • MDL: MFCD08061639
    • Inchi: 1S/C8H9BO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
    • InChI Key: OEGYTHZGLBLPCE-UHFFFAOYSA-N
    • SMILES: OB(C1C=C(C(=O)O)C=CC=1C)O

Computed Properties

  • Exact Mass: 180.05900
  • Monoisotopic Mass: 180.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 77.8

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 446.8±55.0 °C at 760 mmHg
  • Flash Point: 224.0±31.5 °C
  • PSA: 77.76000
  • LogP: -0.62700
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

3-Borono-4-methylbenzoic acid Pricemore >>

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3-Borono-4-methylbenzoic acid Production Method

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