| CAS Number | 1793003-61-8 |
| Catalog Number | AG00HZXT |
| Chemical Name | 2-Methyl-4-pentanoylphenylboronic acid |
| IUPAC Name | (2-methyl-4-pentanoylphenyl)boronic acid |
| InChI | InChI=1S/C12H17BO3/c1-3-4-5-12(14)10-6-7-11(13(15)16)9(2)8-10/h6-8,15-16H,3-5H2,1-2H3 |
| InChI Key | WDIQDPYDEQZENV-UHFFFAOYSA-N |
| MDL Number | MFCD19237180 |
| Molecular Formula | C12H17BO3 |
| Molecular Weight | 220.0726 |
| SMILES | CCCCC(=O)c1ccc(c(c1)C)B(O)O |
| Synonyms | 2-Methyl-4-pentanoylphenylboronic acid,
1793003-61-8,
(2-methyl-4-pentanoylphenyl)boronic acid,
MFCD19237180,
ZINC169951702,
Y2370,
A-2837,
C12H17BO3,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.075g/mol |
| Monoisotopic Mass | 220.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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