| CAS Number | 1312788-59-2 |
| Catalog Number | AG01C2FB(AGN-PC-0WNQPI) |
| Chemical Name | 2-(4-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| IUPAC Name | 2-(4-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| InChI | InChI=1S/C11H12BNO5/c1-13-6-10(15)17-12(18-11(16)7-13)8-2-4-9(14)5-3-8/h2-5,14H,6-7H2,1H3 |
| InChI Key | FNBNWODTQKVXTN-UHFFFAOYSA-N |
| MDL Number | MFCD25541468 |
| Molecular Formula | C11H12BNO5 |
| Molecular Weight | 249.0277 |
| SMILES | B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)O |
| Synonyms | 2-(4-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
1312788-59-2,
SCHEMBL9964453,
ZINC203761319,
4-Hydroxyphenylboronic acid MIDA ester,
SY038372,
MFCD25541468 (95%),
1613586-40-5,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.029g/mol |
| Monoisotopic Mass | 249.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number