| CAS Number | 1333411-99-6 |
| Catalog Number | AG019YQ8 |
| Chemical Name | 2-(oxolan-3-ylmethoxy)phenylboronic acid |
| IUPAC Name | [2-(oxolan-3-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BO4/c13-12(14)10-3-1-2-4-11(10)16-8-9-5-6-15-7-9/h1-4,9,13-14H,5-8H2 |
| InChI Key | PVWGIVALWGYJIB-UHFFFAOYSA-N |
| MDL Number | MFCD14691768 |
| Molecular Formula | C11H15BO4 |
| Molecular Weight | 222.0454 |
| SMILES | OB(C1=C(OCC2COCC2)C=CC=C1)O |
| Synonyms | [2-(oxolan-3-ylmethoxy)phenyl]boronic acid,
[2-(oxolan-3-ylmethoxy)phenyl]boranediol,
1333411-99-6,
AKOS010817215,
NE20807,
RP27359,
{2-[(oxolan-3-yl)methoxy]phenyl}boronic acid,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.047g/mol |
| Monoisotopic Mass | 222.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number