| CAS Number | 1333122-39-6 |
| Catalog Number | AG009YFZ(AGN-PC-0WCRJY) |
| Chemical Name | 3-(Isopropoxymethyl)phenylboronic acid |
| IUPAC Name | [3-(propan-2-yloxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H15BO3/c1-8(2)14-7-9-4-3-5-10(6-9)11(12)13/h3-6,8,12-13H,7H2,1-2H3 |
| InChI Key | JODVPSKKFKJSSN-UHFFFAOYSA-N |
| MDL Number | MFCD14687288 |
| Molecular Formula | C10H15BO3 |
| Molecular Weight | 194.0353 |
| SMILES | CC(OCC1=CC(B(O)O)=CC=C1)C |
| Synonyms | (3-(isopropoxymethyl)phenyl)boronic acid,
1333122-39-6,
{3-[(propan-2-yloxy)methyl]phenyl}boronic acid,
MFCD14687288,
AKOS010795554,
ZINC169926350,
AM86519,
NE28792,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.037g/mol |
| Monoisotopic Mass | 194.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number