| CAS Number | 2096336-72-8 |
| Catalog Number | AG01EHEB |
| Chemical Name | 3-Methoxy-5-methoxycarbonyl-4-methylphenylboronic acid, pinacol ester |
| IUPAC Name | methyl 3-methoxy-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C16H23BO5/c1-10-12(14(18)20-7)8-11(9-13(10)19-6)17-21-15(2,3)16(4,5)22-17/h8-9H,1-7H3 |
| InChI Key | HKRCYGOHRBQFIQ-UHFFFAOYSA-N |
| MDL Number | MFCD19237220 |
| Molecular Formula | C16H23BO5 |
| Molecular Weight | 306.1618 |
| SMILES | O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(OC)=C1C |
| Synonyms | 3-Methoxy-5-methoxycarbonyl-4-methylphenylboronic acid, pinacol ester,
2096336-72-8,
methyl 3-methoxy-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD19237220,
ZINC169951930,
A-2779,
N/A,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.165g/mol |
| Monoisotopic Mass | 306.164g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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