| CAS Number | 2096333-27-4 |
| Catalog Number | AG01EHDT |
| Chemical Name | 3,5-Dimethyl-4-methoxycarbonylphenylboronic acid, pinacol ester |
| IUPAC Name | methyl 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C16H23BO4/c1-10-8-12(9-11(2)13(10)14(18)19-7)17-20-15(3,4)16(5,6)21-17/h8-9H,1-7H3 |
| InChI Key | VDELJAWMMVSPIE-UHFFFAOYSA-N |
| MDL Number | MFCD18311856 |
| Molecular Formula | C16H23BO4 |
| Molecular Weight | 290.1624 |
| SMILES | O=C(OC)C1=C(C)C=C(B2OC(C)(C)C(C)(C)O2)C=C1C |
| Synonyms | 3,5-Dimethyl-4-methoxycarbonylphenylboronic acid, pinacol ester,
2096333-27-4,
methyl 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD18311856,
ZINC169935340,
B-9356,
N/A,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.166g/mol |
| Monoisotopic Mass | 290.169g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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