| CAS Number | 959861-30-4 |
| Catalog Number | AG003K71(AGN-PC-0WNOKI) |
| Chemical Name | 4-(Cyclopentanecarbonyl)phenylboronic acid |
| IUPAC Name | [4-(cyclopentanecarbonyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H15BO3/c14-12(9-3-1-2-4-9)10-5-7-11(8-6-10)13(15)16/h5-9,15-16H,1-4H2 |
| InChI Key | QUKZBPAMKWYBBY-UHFFFAOYSA-N |
| MDL Number | MFCD16295078 |
| Molecular Formula | C12H15BO3 |
| Molecular Weight | 218.0567 |
| SMILES | OB(c1ccc(cc1)C(=O)C1CCCC1)O |
| Synonyms | 959861-30-4,
4-(CYCLOPENTANECARBONYL)PHENYLBORONIC ACID,
ZINC169934314,
TR-038593,
(4-(Cyclopentanecarbonyl)phenyl)boronic acid,
[4-(cyclopentanecarbonyl)phenyl]boronic acid,
CTK5H8494,
DTXSID90681665,
ANW-40782,
KM3406,
MFCD16295078,
AKOS015840758,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.059g/mol |
| Monoisotopic Mass | 218.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
Certificate of Analysis
Lot Number