Cas no 1137339-94-6 ((5-(Hydroxymethyl)-2-methoxyphenyl)boronic acid)

(5-(Hydroxymethyl)-2-methoxyphenyl)boronic acid structure
1137339-94-6 structure
Product Name:(5-(Hydroxymethyl)-2-methoxyphenyl)boronic acid
CAS No:1137339-94-6
MF:C8H11BO4
MW:181.981542825699
MDL:MFCD13181643
CID:1026289
PubChem ID:57497290
Update Time:2025-04-20

(5-(Hydroxymethyl)-2-methoxyphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (5-(Hydroxymethyl)-2-methoxyphenyl)boronic acid
    • [5-(Hydroxymethyl)-2-methoxyphenyl]boronic acid
    • AMY29829
    • VVAGQXBGJZANAF-UHFFFAOYSA-N
    • EN300-1696825
    • CS-0189963
    • AKOS016005745
    • SCHEMBL2463490
    • D71538
    • (5-(Hydroxymethyl)-2-methoxyphenyl)boronicacid
    • 5-hydroxymethyl-2-methoxyphenylboronic acid
    • DB-344749
    • Z1255425180
    • 1137339-94-6
    • Boronic acid, B-[5-(hydroxymethyl)-2-methoxyphenyl]-
    • DTXSID90726924
    • MFCD13181643
    • MDL: MFCD13181643
    • Inchi: 1S/C8H11BO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,10-12H,5H2,1H3
    • InChI Key: VVAGQXBGJZANAF-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(CO)=CC=1B(O)O

Computed Properties

  • Exact Mass: 182.07500
  • Monoisotopic Mass: 182.0750390g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 153
  • 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: 69.92000
  • LogP: -1.13270

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