chempirical

3,5-Dicarboxybenzeneboronic acid

C8H7BO6CAS 881302-73-4209.95 g/mol

Open in Covalent MOL file
BOOHOOHOHHO
Boronic acidCarboxylic acid

Properties

Molecular formula
C8H7BO6
Molar mass
209.95 g/mol
Exact mass
210.0336 Da
logP
-1.24Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
881302-73-4
SMILES
B(C1=CC(=CC(=C1)C(=O)O)C(=O)O)(O)O
InChIKey
LCDXMCXNZRXUDH-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,14-15H,(H,10,11)(H,12,13)

Weigh it out

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Names and synonyms

1 names
  • 3,5-Dicarboxyphenylboronic acid

Work with 3,5-Dicarboxybenzeneboronic 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

3-Amino-5-carboxylphenylboronic acid116378-40-673 % similar 3-Carboxyphenylboronic acid25487-66-567 % similar Trimesic acid554-95-065 % similar 4-Carboxyphenylboronic acid14047-29-164 % similar 3-Carboxy-5-nitrophenylboronic acid101084-81-563 % similar Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-258 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-954 % similar 5-Hydroxyisophthalic acid618-83-754 % similar

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

Elsewhere

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