| CAS Number | 160061-48-3 |
| Catalog Number | AG001RMZ(AGN-PC-0WA9MV) |
| Chemical Name | 4-(Propoxymethyl)phenylboronic acid |
| IUPAC Name | [4-(propoxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H15BO3/c1-2-7-14-8-9-3-5-10(6-4-9)11(12)13/h3-6,12-13H,2,7-8H2,1H3 |
| InChI Key | WZSZSIRDVBCIQM-UHFFFAOYSA-N |
| MDL Number | MFCD14687314 |
| Molecular Formula | C10H15BO3 |
| Molecular Weight | 194.0353 |
| SMILES | CCCOCc1ccc(cc1)B(O)O |
| Synonyms | 160061-48-3,
(4-(Propoxymethyl)phenyl)boronic acid,
4-(PROPOXYMETHYL)PHENYLBORONIC ACID,
[4-(propoxymethyl)phenyl]boronic acid,
ACMC-209dkk,
CTK4D0310,
DTXSID40681352,
ANW-21858,
MFCD14687314,
AKOS010795857,
ZINC169926359,
AX8236237,
TR-035839,
X0555,
A-9175,
Boronic acid, [4-(propoxymethyl)phenyl]- (9CI),
C10H15BO3,
(4-(Propoxymethyl)phenyl)boronicacid,
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| Complexity | 144 |
| 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 | 5 |
| Topological Polar Surface Area | 49.7A^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