| CAS Number | 1437051-71-2 |
| Catalog Number | AG01BFWN |
| Chemical Name | 1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborole-6-carbaldehyde |
| IUPAC Name | 1-hydroxy-3,3-dimethyl-2,1-benzoxaborole-6-carbaldehyde |
| InChI | InChI=1S/C10H11BO3/c1-10(2)8-4-3-7(6-12)5-9(8)11(13)14-10/h3-6,13H,1-2H3 |
| InChI Key | RYVMJFDGXSBWRC-UHFFFAOYSA-N |
| MDL Number | MFCD28129164 |
| Molecular Formula | C10H11BO3 |
| Molecular Weight | 190.0035 |
| SMILES | CC1(C2=C(C=C(C=C2)C=O)B(O)O1)C |
| Synonyms | 1437051-71-2,
1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborole-6-carbaldehyde,
1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde,
SCHEMBL14958010,
RYVMJFDGXSBWRC-UHFFFAOYSA-N,
1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-Benzoxaborole-6-carboxaldehyde,
ZINC220055846,
CS-0078621,
FT-0763332,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.005g/mol |
| Monoisotopic Mass | 190.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number