| CAS Number | 2026647-81-2 |
| Catalog Number | AG01EL3G |
| Chemical Name | Methyl 3-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| IUPAC Name | methyl 3-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5/h6-8,16H,1-5H3 |
| InChI Key | VNTDZKJUUCGKNB-UHFFFAOYSA-N |
| MDL Number | MFCD18732731 |
| Molecular Formula | C14H19BO5 |
| Molecular Weight | 278.1087 |
| SMILES | O=C(OC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C(O)=C1 |
| Synonyms | 2026647-81-2,
A1-06152,
METHYL 3-HYDROXY-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE,
Benzoic acid, 3-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,
METHYL 3-HYDROXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.111g/mol |
| Monoisotopic Mass | 278.133g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number