4-(2-Hydroxy-2-propanyl)phenylboronic Acid - CAS 886593-45-9
Catalog: |
BB039133 |
Product Name: |
4-(2-Hydroxy-2-propanyl)phenylboronic Acid |
CAS: |
886593-45-9 |
Synonyms: |
[4-(2-hydroxypropan-2-yl)phenyl]boronic acid; [4-(2-hydroxypropan-2-yl)phenyl]boronic acid |
IUPAC Name: | [4-(2-hydroxypropan-2-yl)phenyl]boronic acid |
Description: | 4-(2-Hydroxy-2-propanyl)phenylboronic Acid (CAS# 886593-45-9) is a useful research chemical. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(C)(C)O)(O)O |
InChI: | InChI=1S/C9H13BO3/c1-9(2,11)7-3-5-8(6-4-7)10(12)13/h3-6,11-13H,1-2H3 |
InChI Key: | DPIDNFWCDMXMDY-UHFFFAOYSA-N |
LogP: | -0.40620 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2021063967-A1 | Novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof | 20191001 |
WO-2021046315-A2 | Inhibitors of encephalitic alphaviruses | 20190905 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
CN-111808057-A | Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof | 20190410 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0957744 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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