| CAS Number | 1221823-69-3 |
| Catalog Number | AG0016WE(AGN-PC-0WAAGG) |
| Chemical Name | 4-Hydroxy(phenyl)methylphenylboronic acid |
| IUPAC Name | [4-[hydroxy(phenyl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H13BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15-17H |
| InChI Key | KZDVEVNHPYZAEI-UHFFFAOYSA-N |
| MDL Number | MFCD17015768 |
| Molecular Formula | C13H13BO3 |
| Molecular Weight | 228.0515 |
| SMILES | OC(C1=CC=C(B(O)O)C=C1)C2=CC=CC=C2 |
| Synonyms | 1221823-69-3,
(4-(Hydroxy(phenyl)methyl)phenyl)boronic acid,
Boronic acid, B-[4-(hydroxyphenylmethyl)phenyl]-,
SCHEMBL257755,
MFCD17015768,
AM90026,
OR361270,
AX8225340,
X1786,
B-2598,
C13H13BO3,
4-HYDROXY(PHENYL)METHYLPHENYLBORONIC ACID,
(4-(Hydroxy(phenyl)methyl)phenyl)boronicacid,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.054g/mol |
| Monoisotopic Mass | 228.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number