chempirical

4-Carboxyphenylboronic acid

C7H7BO4CAS 14047-29-1165.94 g/mol

Open in Covalent MOL file
OHOBOHOH
Boronic acidCarboxylic acid

Properties

Molecular formula
C7H7BO4
Molar mass
165.94 g/mol
Exact mass
166.0437 Da
Melting point
219–220 °C
logP
-0.94Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
14047-29-1
SMILES
O=C(O)c1ccc(B(O)O)cc1
InChIKey
SIAVMDKGVRXFAX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Benzoic acid, 4-borono-
  • Benzoic acid, p-borono-
  • 4-Boronobenzoic acid
  • 4-Carboxybenzeneboronic acid
  • p-Boronobenzoic acid
  • p-Carboxyphenylboronic acid
  • p-Carboxybenzeneboronic acid
  • NSC 221170
  • 4-Hydroxycarbonylphenyl boronic acid
  • 4-(Dihydroxyboryl)benzoic acid
  • 4-Carboxylphenylboronic acid
  • 4-(Dihydroxyboronyl)benzoic acid
  • 4-(Dihydroxyboranyl)benzoic acid

Work with 4-Carboxyphenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terephthalic acid100-21-065 % similar 4-Carbamoylphenylboronic acid123088-59-559 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-258 % similar 4-Acetylphenylboronic acid149104-90-557 % similar 4,4′-Oxybis[benzoic acid]2215-89-654 % similar 4-Hydroxybenzoic acid99-96-754 % similar 3-Amino-5-carboxylphenylboronic acid116378-40-653 % similar Benzoic acid65-85-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Carboxyphenylboronic acid25487-66-5

Elsewhere

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