2-Carboxyphenylboronic acid dihydrate
Product Information
Molecular Formula
C7H7BO4 · 2H2O
Molecular Weight
201.97
Description
2-Carboxyphenylboronic acid dihydrate is a multifaceted biomedicine compound that assumes a pivotal role in combating a myriad of ailments. As a borate ester compound, it can effectively inhibit the enzymatic actions that lead to diseases such as malignant tumors, blood sugar discomfort, and inflammatory disorders.
Synonyms
2-(Dihydroxyboryl)benzoic acid,2-Boronobenzoic acid
IUPAC Name
2-boronobenzoic aciddihydrate
SMILES
B(C1=CC=CC=C1C(=O)O)(O)O.O.O
InChI
InChI=1S/C7H7BO4.2H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)2*1H2
InChI Key
XHFHPLIGSGHNOD-UHFFFAOYSA-N
Flash Point
Not applicable
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
202.0648682 g/mol
Monoisotopic Mass
202.0648682 g/mol
Topological Polar Surface Area
79.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
171
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
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2013178617-A1 | Catalytic conversion of cellulose to fuels and chemicals using boronic acids | 2011-09-28 |
| US-9162999-B2 | Catalytic conversion of cellulose to fuels and chemicals using boronic acids | 2011-09-28 |
| WO-2013049424-A1 | Catalytic conversion of cellulose to fuels and chemicals using boronic acids | 2011-09-28 |
