| CAS Number | 89641-21-4 |
| Catalog Number | AG00IFSC(AGN-PC-01XL2E) |
| Chemical Name | Boronic acid, 1,3,5-benzenetriyltris- |
| IUPAC Name | (3,5-diboronophenyl)boronic acid |
| InChI | InChI=1S/C6H9B3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,10-15H |
| InChI Key | NAIUYXOLMQYLIG-UHFFFAOYSA-N |
| MDL Number | MFCD20275289 |
| Molecular Formula | C6H9B3O6 |
| Molecular Weight | 209.5651 |
| SMILES | C1=C(C=C(C=C1B(O)O)B(O)O)B(O)O |
| Synonyms | BENZENE-1,3,5-TRIYLTRIBORONIC ACID,
89641-21-4,
SCHEMBL806837,
benzene-1,3,5-triboronic acid,
1,3,5-Tris(dihydroxyboryl)benzene,
MFCD20275289,
AKOS030627453,
ZINC196558546,
AS-47075,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.562g/mol |
| Monoisotopic Mass | 210.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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