| CAS Number | 279262-08-7 |
| Catalog Number | AG00BNBP(AGN-PC-0R3L84) |
| Chemical Name | (3,4-Diethoxyphenyl)boronic acid |
| IUPAC Name | (3,4-diethoxyphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7,12-13H,3-4H2,1-2H3 |
| InChI Key | BZKJGFWYSHWIPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11183306 |
| Molecular Formula | C10H15BO4 |
| Molecular Weight | 210.0347 |
| SMILES | CCOC1=C(OCC)C=C(B(O)O)C=C1 |
| Synonyms | (3,4-diethoxyphenyl)boronic acid,
(3,4-diethoxyphenyl)boranediol,
279262-08-7,
Boronic acid, (3,4-diethoxyphenyl)- (9CI),
3,4-diethoxyphenylboronic acid,
AC1Q35X8,
SCHEMBL2802409,
CTK6G1077,
BZKJGFWYSHWIPZ-UHFFFAOYSA-N,
AKOS009317532,
ZINC169888208,
NE17890,
Boronic acid, B-(3,4-diethoxyphenyl)-,
EN300-56391,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.036g/mol |
| Monoisotopic Mass | 210.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number