4-(2-Carboxyethyl)benzeneboronic acid
Properties
- Molecular formula
- C9H11BO4
- Molar mass
- 193.99 g/mol
- Exact mass
- 194.0750 Da
- logP
- -0.62Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
166316-48-9SMILES
B(C1=CC=C(C=C1)CCC(=O)O)(O)OInChIKey
VPSARXNVXCRDIV-UHFFFAOYSA-NInChI
InChI=1S/C9H11BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5,13-14H,3,6H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(2-Carboxyethyl)benzeneboronic acid
Similar compounds
1,4-Benzenedipropanoic acid4251-21-270 % similar
Phloretic acid501-97-359 % similar
Phenylpropanoic acid501-52-058 % similar
3-(P-Tolyl)propionic acid1505-50-658 % similar
3-(4-Iodophenyl)propionic acid1643-29-458 % similar
3-(4-Bromophenyl)propionic acid1643-30-758 % similar
3-(4-Chlorophenyl)propanoic acid2019-34-358 % similar
3-(4-Aminophenyl)propionic acid2393-17-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.