| CAS Number | 1071958-96-7 |
| Catalog Number | AG00HAXY(AGN-PC-0WQWN9) |
| Chemical Name | 4-methoxy-3-(methoxycarbonyl)phenylboronic acid |
| IUPAC Name | (4-methoxy-3-methoxycarbonylphenyl)boronic acid |
| InChI | InChI=1S/C9H11BO5/c1-14-8-4-3-6(10(12)13)5-7(8)9(11)15-2/h3-5,12-13H,1-2H3 |
| InChI Key | LXGMDDVQLGJPIT-UHFFFAOYSA-N |
| MDL Number | MFCD23380361 |
| Molecular Formula | C9H11BO5 |
| Molecular Weight | 209.9916 |
| SMILES | COC(=O)c1cc(ccc1OC)B(O)O |
| Synonyms | 4-methoxy-3-(methoxycarbonyl)phenylboronic acid,
1071958-96-7,
MFCD23380361,
AKOS026672421,
ZINC170002471,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.992g/mol |
| Monoisotopic Mass | 210.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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