| CAS Number | 1256346-39-0 |
| Catalog Number | AG000O29(AGN-PC-0WA9II) |
| Chemical Name | 4-(Diacetoxymethyl)phenylboronic acid |
| IUPAC Name | [4-(diacetyloxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H13BO6/c1-7(13)17-11(18-8(2)14)9-3-5-10(6-4-9)12(15)16/h3-6,11,15-16H,1-2H3 |
| InChI Key | WQQIEDWQBJYVAE-UHFFFAOYSA-N |
| MDL Number | MFCD16618936 |
| Molecular Formula | C11H13BO6 |
| Molecular Weight | 252.0283 |
| SMILES | OB(c1ccc(cc1)C(OC(=O)C)OC(=O)C)O |
| Synonyms | 4-(DIACETOXYMETHYL)PHENYLBORONIC ACID,
1256346-39-0,
(4-(Diacetoxymethyl)phenyl)boronic acid,
ACMC-209axb,
C11H13BO6,
CTK4B4552,
DTXSID40681675,
ANW-18429,
MFCD16618936,
AKOS015837923,
ZINC169934363,
OR361092,
4-[Bis(acetyloxy)methyl]phenylboronic acid,
TR-035210,
X1875,
{4-[Bis(acetyloxy)methyl]phenyl}boronic acid,
B-3713,
Boronic acid, B-[4-[bis(acetyloxy)methyl]phenyl]-,
I04-1997,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.029g/mol |
| Monoisotopic Mass | 252.081g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number