| CAS Number | 1315339-43-5 |
| Catalog Number | AG00HSKB(AGN-PC-0WP1NM) |
| Chemical Name | 2,2-DIMETHYLPROPYL-4'-METHOXYBENZOATE-2'-BORONIC ACID |
| IUPAC Name | [2-(2,2-dimethylpropoxycarbonyl)-5-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C13H19BO5/c1-13(2,3)8-19-12(15)10-6-5-9(18-4)7-11(10)14(16)17/h5-7,16-17H,8H2,1-4H3 |
| InChI Key | GNSKLGLSBOFRQO-UHFFFAOYSA-N |
| MDL Number | MFCD01631847 |
| Molecular Formula | C13H19BO5 |
| Molecular Weight | 266.0980 |
| SMILES | COC1=CC(B(O)O)=C(C=C1)C(=O)OCC(C)(C)C |
| Synonyms | 1315339-43-5,
5-METHOXY-2-(NEOPENTYLOXYCARBONYL)PHENYLBORONIC ACID,
X-2380,
(5-Methoxy-2-((neopentyloxy)carbonyl)phenyl)boronic acid,
2,2-DIMETHYLPROPYL-4'-METHOXYBENZOATE-2'-BORONIC ACID,
CTK7A0496,
AR1085,
MFCD01631847,
ZINC197980708,
AB09392,
AS-45019,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.1g/mol |
| Monoisotopic Mass | 266.133g/mol |
| Rotatable Bond Count | 6 |
| 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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