| CAS Number | 2096330-03-7 |
| Catalog Number | AG01EHJY |
| Chemical Name | 2-(Dimethylaminomethyl)-4-carboxyphenylboronic acid pinacol ester |
| IUPAC Name | 3-[(dimethylamino)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| InChI | InChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-8-7-11(14(19)20)9-12(13)10-18(5)6/h7-9H,10H2,1-6H3,(H,19,20) |
| InChI Key | ZNLJZIXCVRSACN-UHFFFAOYSA-N |
| MDL Number | MFCD19981554 |
| Molecular Formula | C16H24BNO4 |
| Molecular Weight | 305.1771 |
| SMILES | CN(Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)O)C |
| Synonyms | 2-(Dimethylaminomethyl)-4-carboxyphenylboronic acid pinacol ester,
2096330-03-7,
3-((Dimethylamino)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid,
MFCD19981554,
ZINC169955889,
B-9729,
N/A,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.181g/mol |
| Monoisotopic Mass | 305.18g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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