| CAS Number | 1332637-14-5 |
| Catalog Number | AG00HSUK(AGN-PC-0WRACT) |
| Chemical Name | 2-methoxy-3-(methoxycarbonyl)phenylboronic acid |
| IUPAC Name | (2-methoxy-3-methoxycarbonylphenyl)boronic acid |
| InChI | InChI=1S/C9H11BO5/c1-14-8-6(9(11)15-2)4-3-5-7(8)10(12)13/h3-5,12-13H,1-2H3 |
| InChI Key | YUUSYICBNQHHNZ-UHFFFAOYSA-N |
| MDL Number | MFCD23379502 |
| Molecular Formula | C9H11BO5 |
| Molecular Weight | 209.9916 |
| SMILES | OB(C1=CC=CC(C(OC)=O)=C1OC)O |
| Synonyms | 2-methoxy-3-(methoxycarbonyl)phenylboronic acid,
1332637-14-5,
(2-Methoxy-3-(methoxycarbonyl)phenyl)boronic acid,
MFCD23379502,
ZINC170010407,
AS-37616,
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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
Lot Number