| CAS Number | 1960406-10-3 |
| Catalog Number | AG00I3KA(AGN-PC-0WOH6C) |
| Chemical Name | 3-Isopropoxy-5-methoxyphenylboronic acid |
| IUPAC Name | (3-methoxy-5-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO4/c1-7(2)15-10-5-8(11(12)13)4-9(6-10)14-3/h4-7,12-13H,1-3H3 |
| InChI Key | VHBYYKMZGKTMAW-UHFFFAOYSA-N |
| MDL Number | MFCD22205759 |
| Molecular Formula | C10H15BO4 |
| Molecular Weight | 210.0347 |
| SMILES | c1(cc(cc(c1)OC)OC(C)C)B(O)O |
| Synonyms | 3-Isopropoxy-5-methoxyphenylboronic acid,
(3-Isopropoxy-5-methoxyphenyl)boronic acid,
1960406-10-3,
MFCD22205759,
AKOS027359439,
ZINC169978201,
Y2589,
B-9317,
C10H15BO4,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.036g/mol |
| Monoisotopic Mass | 210.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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