4-Acetoxyphenylboronic Acid - CAS 177490-82-3
Catalog: |
BB013300 |
Product Name: |
4-Acetoxyphenylboronic Acid |
CAS: |
177490-82-3 |
Synonyms: |
(4-acetyloxyphenyl)boronic acid; (4-acetyloxyphenyl)boronic acid |
IUPAC Name: | (4-acetyloxyphenyl)boronic acid |
Description: | 4-Acetoxyphenylboronic Acid (CAS# 177490-82-3) is a useful research chemical. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9O4B |
Canonical SMILES: | B(C1=CC=C(C=C1)OC(=O)C)(O)O |
InChI: | InChI=1S/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | VILXJXDXZGKJLU-UHFFFAOYSA-N |
Boiling Point: | 339.9 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
Appearance: | Pale brown solid |
LogP: | -0.70830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
US-2020140406-A1 | Trioxolane agents | 20170627 |
WO-2019005977-A1 | TRIOXOLANE AGENTS | 20170627 |
US-11072594-B2 | Trioxolane agents | 20170627 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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