| CAS Number | 1107064-09-4 |
| Catalog Number | AG01C5KU |
| Chemical Name | 3,4-Dihydro-2h-1,5-benzodioxepin-6-ylboronic acid |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-6-ylboronic acid |
| InChI | InChI=1S/C9H11BO4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4,11-12H,2,5-6H2 |
| InChI Key | BTDVUENZZYXXFN-UHFFFAOYSA-N |
| MDL Number | MFCD06801681 |
| Molecular Formula | C9H11BO4 |
| Molecular Weight | 193.9922 |
| SMILES | OB(C1=C2OCCCOC2=CC=C1)O |
| Synonyms | (3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-6-YL)BORONIC ACID,
1107064-09-4,
AKOS004119292,
ZINC196954605,
AB30065,
|
| Complexity | 188 |
| 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 | 1 |
| 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