[3-(2-carboxyethyl)phenyl]boronic acid

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Product Information

Molecular Formula:
C9H11BO4
Molecular Weight:
193.99
Description
3-(2-carboxyethyl)phenyl boronic acid is a basic pharmaceutical intermediate with wide applications in biomedical research. Due to its exceptional properties as a compound capable of cross-linking cells and controlling signal transduction, it has shown particular efficacy in developing therapies against cancer diseases.
Synonyms
3-(3-boronophenyl)propanoic Acid; [3-(2-carboxyethyl)phenyl]boronic acid; Benzenepropanoic acid, 3-borono- (9CI); 3-[3-(dihydroxyboranyl)phenyl]propanoic acid; 3-(3-Boronophenyl)propionic acid; 3-carboxyethylphenylboronic acid; 3-(3-boronophenyl)propanoicAcid; 3-(2-Carboxyethyl)benzeneboronic acid; [3-(2-carboxyethyl)phenyl]boronic acid
IUPAC Name
3-(3-boronophenyl)propanoic acid
Canonical SMILES
B(C1=CC(=CC=C1)CCC(=O)O)(O)O
InChI
InChI=1S/C9H11BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6,13-14H,4-5H2,(H,11,12)
InChI Key
JJBQHOJBARDWRZ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302 - H319
Precautionary Statement
P301 + P312 + P330 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
194.0750390 g/mol
Monoisotopic Mass
194.0750390 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
195
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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