| CAS Number | 1146214-81-4 |
| Catalog Number | AG01BT5C |
| Chemical Name | Methyl 5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| IUPAC Name | methyl 5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)12-8-7-10(18-5)9-11(12)13(17)19-6/h7-9H,1-6H3 |
| InChI Key | KCKZVAYMNDDCGI-UHFFFAOYSA-N |
| MDL Number | MFCD22414446 |
| Molecular Formula | C15H21BO5 |
| Molecular Weight | 292.1352 |
| SMILES | COC(C1=C(B2OC(C)(C)C(C)(C)O2)C=CC(OC)=C1)=O |
| Synonyms | 1146214-81-4,
MEthyl 5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
ZINC309633080,
5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid methyl ester,
BENZOIC ACID, 5-METHOXY-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-,+,
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| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.138g/mol |
| Monoisotopic Mass | 292.148g/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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