4-(Carboxyvin-2-yl)phenylboronic acid

C₉H₉BO₄CAS 159896-15-8191.98 g/mol

Open in Covalent MOL file

Alkene Boronic acid Carboxylic acid

Properties

Molecular formula: C₉H₉BO₄
Molar mass: 191.98 g/mol
Exact mass: 192.0594 Da
logP: -0.54Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

159896-15-8

SMILES

B(C1=CC=C(C=C1)/C=C/C(=O)O)(O)O

InChIKey

IEMLKNHGGSYOMP-ZZXKWVIFSA-N

InChI

InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+

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Names and synonyms

1 names

4-(2-Carboxyvinyl)benzeneboronic acid

Work with 4-(Carboxyvin-2-yl)phenylboronic 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

P-Phenylenediacrylic acid16323-43-671 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-261 % similar P-Coumaric acid501-98-461 % similar P-Coumaric acid7400-08-061 % similar Cinnamic acid621-82-959 % similar 4-Bromocinnamic acid1200-07-359 % similar trans-4-Fluorocinnamic acid14290-86-959 % similar 4-Chlorocinnamic acid1615-02-759 % similar

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

Elsewhere

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