Cas no 139517-73-0 (Boronic acid, [3-(2-hydroxyethyl)-4-methoxyphenyl]-)

Boronic acid, [3-(2-hydroxyethyl)-4-methoxyphenyl]- structure
139517-73-0 structure
Product Name:Boronic acid, [3-(2-hydroxyethyl)-4-methoxyphenyl]-
CAS No:139517-73-0
MF:C9H13BO4
MW:196.008123159409
CID:1273294
PubChem ID:15144150
Update Time:2025-04-20

Boronic acid, [3-(2-hydroxyethyl)-4-methoxyphenyl]- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, [3-(2-hydroxyethyl)-4-methoxyphenyl]-
    • (3-(2-hydroxyethyl)-4-methoxyphenyl)boronic acid
    • 3-(2-Hydroxyethyl)-4-methoxyphenylboronic acid
    • 139517-73-0
    • Inchi: 1S/C9H13BO4/c1-14-9-3-2-8(10(12)13)6-7(9)4-5-11/h2-3,6,11-13H,4-5H2,1H3
    • InChI Key: SYUSVYAAQVDHGC-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(B(O)O)=CC=1CCO

Computed Properties

  • Exact Mass: 195.09429
  • Monoisotopic Mass: 196.0906891g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 165
  • 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: 69.9?2

Experimental Properties

  • PSA: 69.92
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