| CAS Number | 1632992-45-0 |
| Catalog Number | AG000ON8 |
| Chemical Name | 2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde |
| IUPAC Name | 2-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)benzaldehyde |
| InChI | InChI=1S/C12H12BNO5/c1-14-6-11(16)18-13(14,19-12(17)7-14)10-5-3-2-4-9(10)8-15/h2-5,8H,6-7H2,1H3 |
| InChI Key | XEUDLOAXFKAKRO-UHFFFAOYSA-N |
| MDL Number | MFCD11215212 |
| Molecular Formula | C12H12BNO5 |
| Molecular Weight | 261.0384 |
| SMILES | O=C1(OB(OC(=O)CN(C1)C)C2(=C(C=CC=C2)C=O)) |
| Synonyms | 2-Formylphenylboronic acid MIDA ester,
1632992-45-0,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.080853g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.04g/mol |
| Monoisotopic Mass | 261.080853g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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