| CAS Number | 1226773-36-9 |
| Catalog Number | AG0017LP(AGN-PC-0WAATH) |
| Chemical Name | Boronic acid, B-[2-formyl-5-(phenylmethoxy)phenyl]- |
| IUPAC Name | (2-formyl-5-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C14H13BO4/c16-9-12-6-7-13(8-14(12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2 |
| InChI Key | FEFDHTIODOFOKS-UHFFFAOYSA-N |
| MDL Number | MFCD18383732 |
| Molecular Formula | C14H13BO4 |
| Molecular Weight | 256.0616 |
| SMILES | C(C1=CC=CC=C1)OC=1C=CC(=C(C1)B(O)O)C=O |
| Synonyms | 1226773-36-9,
(5-(Benzyloxy)-2-formylphenyl)boronic acid,
5-(Benzyloxy)-2-formylphenylboronic acid,
[5-(Benzyloxy)-2-formylphenyl]boronic acid,
ACMC-209alp,
CTK8A9518,
DTXSID50742680,
ANW-18011,
AKOS024258181,
ZINC169978272,
OR360686,
AX8283930,
TC-106756,
Z8630,
Boronic acid, B-[2-formyl-5-(phenylmethoxy)phenyl]-,
C14H13BO4,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.064g/mol |
| Monoisotopic Mass | 256.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^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