Cas no 643094-11-5 ([3-(2-methoxy-2-oxoethyl)phenyl]boronic acid)

[3-(2-methoxy-2-oxoethyl)phenyl]boronic acid structure
643094-11-5 structure
Product Name:[3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CAS No:643094-11-5
MF:C9H11BO4
MW:193.992243051529
MDL:MFCD03425946
CID:835999
PubChem ID:22171361
Update Time:2025-04-19

[3-(2-methoxy-2-oxoethyl)phenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-(2-Methoxy-2-oxoethyl)phenyl)boronic acid
    • Methyl (3-boronophenyl)acetate
    • 3-(2-METHOXY-2-OXOETHYL)PHENYLBORONIC ACID
    • 3--2-Methoxy-2-oxoethyl-phenylboronic-acid
    • [3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
    • PBNUXNCUNUMZFL-UHFFFAOYSA-N
    • OR361388
    • AX8261401
    • X0917
    • 3-((methoxycarbonyl)methyl)phenylboronic acid
    • MDL: MFCD03425946
    • Inchi: 1S/C9H11BO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5,12-13H,6H2,1H3
    • InChI Key: PBNUXNCUNUMZFL-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1C=CC=C(B(O)O)C=1)=O

Computed Properties

  • Exact Mass: 194.07500
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 195
  • Topological Polar Surface Area: 66.8

Experimental Properties

  • Melting Point: 126-131°C
  • PSA: 66.76000
  • LogP: -0.91810

[3-(2-methoxy-2-oxoethyl)phenyl]boronic acid Security Information

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