4-(Hydroxymethyl)benzeneboronic acid

C₇H₉BO₃CAS 59016-93-2151.96 g/mol

Open in Covalent MOL file

Alcohol Boronic acid

Properties

Molecular formula: C₇H₉BO₃
Molar mass: 151.96 g/mol
Exact mass: 152.0645 Da
logP: -1.14Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

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

59016-93-2

SMILES

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

InChIKey

PZRPBPMLSSNFOM-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2

Weigh it out

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Names and synonyms

1 names

4-(Hydroxymethyl)phenylboronic acid

Work with 4-(Hydroxymethyl)benzeneboronic 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

1,4-Benzenediboronic acid4612-26-460 % similar 1,4-Benzenedimethanol589-29-760 % similar (4-Ethylphenyl)boronic acid63139-21-958 % similar 4-(Bromomethyl)phenylboronic acid68162-47-058 % similar (4-Propylphenyl)boronic acid134150-01-956 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-552 % similar 4,4'-Biphenyldiboronic acid4151-80-852 % similar 4-Butylphenylboronic acid145240-28-452 % similar

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

Same formula

(3-Methoxyphenyl)boronic acid10365-98-7 B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-8 2-Methoxyphenylboronic acid5720-06-9 (4-Methoxyphenyl)boronic acid5720-07-0 2-Hydroxymethylphenylboronic acid87199-14-2 (3-Hydroxymethyl)phenylboronic acid87199-15-3

Elsewhere

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