| CAS Number | 947162-74-5 |
| Catalog Number | AG01BF48 |
| Chemical Name | 4-Methyl-1,3-dihydro-2,1-benzoxaborol-1-ol |
| IUPAC Name | 1-hydroxy-4-methyl-3H-2,1-benzoxaborole |
| InChI | InChI=1S/C8H9BO2/c1-6-3-2-4-8-7(6)5-11-9(8)10/h2-4,10H,5H2,1H3 |
| InChI Key | YMTCOWKGAPJWJL-UHFFFAOYSA-N |
| MDL Number | MFCD27977127 |
| Molecular Formula | C8H9BO2 |
| Molecular Weight | 147.9669 |
| SMILES | CC1=C2C(B(OC2)O)=CC=C1 |
| Synonyms | 4-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol,
947162-74-5,
SCHEMBL14896740,
4-Methylbenzo[c][1,2]oxaborol-1(3H)-ol,
CS-0078585,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.968g/mol |
| Monoisotopic Mass | 148.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number