| CAS Number | 1003042-89-4 |
| Catalog Number | AG0001JO(AGN-PC-0WABD7) |
| Chemical Name | 5-Ethoxy-2-formylphenylboronic acid |
| IUPAC Name | (5-ethoxy-2-formylphenyl)boronic acid |
| InChI | InChI=1S/C9H11BO4/c1-2-14-8-4-3-7(6-11)9(5-8)10(12)13/h3-6,12-13H,2H2,1H3 |
| InChI Key | WZXOCGHYGPWDRF-UHFFFAOYSA-N |
| MDL Number | MFCD22421490 |
| Molecular Formula | C9H11BO4 |
| Molecular Weight | 193.9922 |
| SMILES | O=CC1=CC=C(OCC)C=C1B(O)O |
| Synonyms | (5-Ethoxy-2-formylphenyl)boronic acid,
1003042-89-4,
5-Ethoxy-2-formylphenylboronic acid,
AKOS024262353,
ZINC169978163,
OR361195,
AX8291993,
Z6250,
Boronic acid, B-(5-ethoxy-2-formylphenyl)-,
C9H11BO4,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.993g/mol |
| Monoisotopic Mass | 194.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number