3-Methoxybenzeneboronic Acid - CAS 10365-98-7
Catalog: |
BB001191 |
Product Name: |
3-Methoxybenzeneboronic Acid |
CAS: |
10365-98-7 |
Synonyms: |
(3-methoxyphenyl)boronic acid; (3-methoxyphenyl)boronic acid |
IUPAC Name: | (3-methoxyphenyl)boronic acid |
Description: | 3-Methoxybenzeneboronic Acid (CAS# 10365-98-7) is a phenylboronic acid used to investigate boron function in plants. |
Molecular Weight: | 151.96 |
Molecular Formula: | C7H9BO3 |
Canonical SMILES: | B(C1=CC(=CC=C1)OC)(O)O |
InChI: | InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3 |
InChI Key: | NLLGFYPSWCMUIV-UHFFFAOYSA-N |
Boiling Point: | 318.6 °C at 760 mmHg |
Melting Point: | 160-163 °C (lit.) |
Flash Point: | Not applicable |
Density: | 1.17 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00161359 |
LogP: | -0.62500 |
GHS Hazard Statement: | H302 (80.39%): 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 |
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PMID | Publication Date | Title | Journal |
18983140 | 20081127 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
12927854 | 20030901 | Synthesis, further biological evaluation and pharmacodynamics of newly discovered inhibitors of TNF-alpha production | Bioorganic & medicinal chemistry |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.0644743 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.0644743 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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