Cas no 1016644-54-4 ([3-(1-Carboxycyclopentyl)phenyl]boronic acid)

[3-(1-Carboxycyclopentyl)phenyl]boronic acid structure
1016644-54-4 structure
Product Name:[3-(1-Carboxycyclopentyl)phenyl]boronic acid
CAS No:1016644-54-4
MF:C12H15BO4
MW:234.056103944778
CID:2111269
Update Time:2023-08-04

[3-(1-Carboxycyclopentyl)phenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-boronophenyl)Cyclopentanecarboxylic acid
    • [3-(1-Carboxycyclopentyl)phenyl]boronic acid
    • LXDRTVYGYLROJN-UHFFFAOYSA-N
    • 3-(1-carboxy-cyclopentyl)-phenylboronic acid
    • Inchi: 1S/C12H15BO4/c14-11(15)12(6-1-2-7-12)9-4-3-5-10(8-9)13(16)17/h3-5,8,16-17H,1-2,6-7H2,(H,14,15)
    • InChI Key: LXDRTVYGYLROJN-UHFFFAOYSA-N
    • SMILES: OC(C1(C2C=CC=C(B(O)O)C=2)CCCC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 286
  • Topological Polar Surface Area: 77.8
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