3-Carboxyphenylboronic acid

C₇H₇BO₄CAS 25487-66-5165.94 g/mol

Open in Covalent MOL file

Boronic acid Carboxylic acid

Properties

Molecular formula: C₇H₇BO₄
Molar mass: 165.94 g/mol
Exact mass: 166.0437 Da
Melting point: 245–247 °C (decomposes)
logP: -0.94Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

25487-66-5

SMILES

O=C(O)c1cccc(B(O)O)c1

InChIKey

DBVFWZMQJQMJCB-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)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

8 names

Benzoic acid, 3-borono-
Benzoic acid, m-borono-
3-Boronobenzoic acid
m-Carboxyphenylboronic acid
3-Carboxybenzeneboronic acid
3-(Dihydroxyboryl)benzoic acid
3-(Dihydroxyborane)benzoic acid
3-(Dihydroxyboranyl)benzoic acid

Work with 3-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

Isophthalic acid121-91-564 % similar 3-Carbamoylphenylboronic acid351422-73-659 % similar 3-Amino-5-carboxylphenylboronic acid116378-40-656 % similar 3-Fluorobenzoic acid455-38-955 % similar 3-Chlorobenzoic acid535-80-855 % similar 3-Bromobenzoic acid585-76-255 % similar 3-Hydroxybenzoic acid99-06-955 % similar 4-Borono-3-chlorobenzoic acid851335-09-654 % similar

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

Same formula

4-Carboxyphenylboronic acid14047-29-1

Elsewhere

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