3-(Cyclopentyloxy)phenylboronic Acid - CAS 959850-87-4
Catalog: |
BB041928 |
Product Name: |
3-(Cyclopentyloxy)phenylboronic Acid |
CAS: |
959850-87-4 |
Synonyms: |
(3-cyclopentyloxyphenyl)boronic acid; (3-cyclopentyloxyphenyl)boronic acid |
IUPAC Name: | (3-cyclopentyloxyphenyl)boronic acid |
Description: | 3-(Cyclopentyloxy)phenylboronic Acid (CAS# 959850-87-4) is a useful research chemical. |
Molecular Weight: | 206.05 |
Molecular Formula: | C11H15O3B |
Canonical SMILES: | B(C1=CC(=CC=C1)OC2CCCC2)(O)O |
InChI: | InChI=1S/C11H15BO3/c13-12(14)9-4-3-7-11(8-9)15-10-5-1-2-6-10/h3-4,7-8,10,13-14H,1-2,5-6H2 |
InChI Key: | CGJBKPGDQSBMIY-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11103730 |
LogP: | 0.68780 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014157382-A1 | Sphingosine kinase inhibitor | 20130329 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.1114245 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.1114245 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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