| CAS Number | 1800305-79-6 |
| Catalog Number | AG01C59N |
| Chemical Name | methyl 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylate |
| IUPAC Name | methyl 1-hydroxy-3H-2,1-benzoxaborole-6-carboxylate |
| InChI | InChI=1S/C9H9BO4/c1-13-9(11)6-2-3-7-5-14-10(12)8(7)4-6/h2-4,12H,5H2,1H3 |
| InChI Key | QHFLKHVMUGQHGA-UHFFFAOYSA-N |
| MDL Number | MFCD30342726 |
| Molecular Formula | C9H9BO4 |
| Molecular Weight | 191.9764 |
| SMILES | COC(C1=CC2=C(COB2O)C=C1)=O |
| Synonyms | MFCD30342726,
ZINC393608591,
Methyl 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylate,
1800305-79-6,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.977g/mol |
| Monoisotopic Mass | 192.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number