| CAS Number | 2096339-62-5 |
| Catalog Number | AG01EHEW |
| Chemical Name | 4-(Ethoxycarbonyl)-2-methylphenylboronic acid |
| IUPAC Name | (4-ethoxycarbonyl-2-methylphenyl)boronic acid |
| InChI | InChI=1S/C10H13BO4/c1-3-15-10(12)8-4-5-9(11(13)14)7(2)6-8/h4-6,13-14H,3H2,1-2H3 |
| InChI Key | LWBVSJUFMSDTAU-UHFFFAOYSA-N |
| MDL Number | MFCD21332941 |
| Molecular Formula | C10H13BO4 |
| Molecular Weight | 208.0188 |
| SMILES | OB(C1=CC=C(C(OCC)=O)C=C1C)O |
| Synonyms | 4-(Ethoxycarbonyl)-2-methylphenylboronic acid,
2096339-62-5,
(4-(Ethoxycarbonyl)-2-methylphenyl)boronic acid,
MFCD21332941,
ZINC169964747,
Y2646,
C10H13BO4,
B-9600,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.02g/mol |
| Monoisotopic Mass | 208.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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