| CAS Number | 947163-26-0 |
| Catalog Number | AG01C59M |
| Chemical Name | 6-methoxy-1,3-dihydro-2,1-benzoxaborol-1-ol |
| IUPAC Name | 1-hydroxy-6-methoxy-3H-2,1-benzoxaborole |
| InChI | InChI=1S/C8H9BO3/c1-11-7-3-2-6-5-12-9(10)8(6)4-7/h2-4,10H,5H2,1H3 |
| InChI Key | GAGAFKOBUXAXBW-UHFFFAOYSA-N |
| MDL Number | MFCD16658744 |
| Molecular Formula | C8H9BO3 |
| Molecular Weight | 163.9663 |
| SMILES | OB1OCC2=CC=C(OC)C=C12 |
| Synonyms | 6-Methoxybenzo[c][1,2]oxaborol-1(3H)-ol,
947163-26-0,
6-methoxy-1,3-dihydro-2,1-benzoxaborol-1-ol,
6-Methoxy-1,3-dihydro-1-hydroxy-2,1-benzoxaborole,
SCHEMBL1135194,
GAGAFKOBUXAXBW-UHFFFAOYSA-N,
ZINC198571140,
6-Methoxy-3H-benzo[c][1,2]oxaborol-1-ol,
CS-0078615,
FT-0721009,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.967g/mol |
| Monoisotopic Mass | 164.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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