| CAS Number | 396102-17-3 |
| Catalog Number | AG00C8R9(AGN-PC-006IJ8) |
| Chemical Name | (2,3-Dimethoxy-5-methylphenyl)boronic acid |
| IUPAC Name | (2,3-dimethoxy-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C9H13BO4/c1-6-4-7(10(11)12)9(14-3)8(5-6)13-2/h4-5,11-12H,1-3H3 |
| InChI Key | MKFLYXCXQHLTTK-UHFFFAOYSA-N |
| MDL Number | MFCD12827469 |
| Molecular Formula | C9H13BO4 |
| Molecular Weight | 196.0081 |
| SMILES | B(C1=CC(=CC(=C1OC)OC)C)(O)O |
| Synonyms | (2,3-DIMETHOXY-5-METHYLPHENYL)BORONIC ACID,
396102-17-3,
DTXSID20461912,
4202AH,
MFCD12827469,
AKOS006343803,
ZINC169946369,
Y-7247,
(2,3-dimethoxy-5-methylphenyl)boronic acid(SALTDATA,
C9H13BO4,
CID11310092,
(2,3-dimethoxy-5-methyl-phenyl)boronic Acid,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.009g/mol |
| Monoisotopic Mass | 196.091g/mol |
| Rotatable Bond Count | 3 |
| 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