4-(5-oxopyrazolidin-3-yl)phenylboronic acid
Product Information
Molecular Formula
C9H11BN2O3
Molecular Weight
206.01
Description
4-(5-oxopyrazolidin-3-yl)phenylboronic acid is an indispensable compound within the biomedical sector and demonstrates its significance through its extraordinary molecular configuration. This compound plays a pivotal role in devising specific remedies for a multitude of ailments, such as cancer and diabetes. Its exceptional ability to impede distinct enzymes and signaling pathways unveils its auspicious prospects in the realm of medicinal breakthroughs and curative interventions.
Synonyms
(4-(5-Oxopyrazolidin-3-yl)phenyl)boronic acid; 4-(5-OXOPYRAZOLIDIN-3-YL)PHENYLBORONIC ACID; 4-(5-Oxopyrazolidin-3-yl)benzeneboronic acid; [4-(5-oxopyrazolidin-3-yl)phenyl]boronic acid; Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]-; (4-(5-Oxopyrazolidin-3-yl)phenyl)boronicacid; 5-(4-Boronophenyl)pyrazolidin-3-one; 4-(5-Oxopyrazolidin-3-yl)phenylboronicacid; 4-(5-oxopyrazolidin-3-yl)phenylboronic acid
IUPAC Name
[4-(5-oxopyrazolidin-3-yl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C2CC(=O)NN2)(O)O
InChI
InChI=1S/C9H11BN2O3/c13-9-5-8(11-12-9)6-1-3-7(4-2-6)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)
InChI Key
INZPXASHKGKJCN-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301 - H317
Precautionary Statement
P280 - P301 + P310
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
206.0862724 g/mol
Monoisotopic Mass
206.0862724 g/mol
Topological Polar Surface Area
81.6Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
242
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
