| CAS Number | 1313760-64-3 |
| Catalog Number | AG01A4XK |
| Chemical Name | [2-(Cyclopentyloxy)-5-methylphenyl]boronic acid |
| IUPAC Name | (2-cyclopentyloxy-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C12H17BO3/c1-9-6-7-12(11(8-9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3 |
| InChI Key | GGLMKUJEQSKWOG-UHFFFAOYSA-N |
| MDL Number | MFCD11103735 |
| Molecular Formula | C12H17BO3 |
| Molecular Weight | 220.0726 |
| SMILES | CC1=CC(B(O)O)=C(OC2CCCC2)C=C1 |
| Synonyms | [2-(cyclopentyloxy)-5-methylphenyl]boronic acid,
1313760-64-3,
ZINC169922536,
NE20999,
2-(Cyclopentyloxy)-5-methylphenylboronic acid,
|
| Complexity | 216 |
| 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 | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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