3-(Methoxymethyl)phenylboronic Acid - CAS 142273-84-5
Catalog: |
BB009338 |
Product Name: |
3-(Methoxymethyl)phenylboronic Acid |
CAS: |
142273-84-5 |
Synonyms: |
[3-(methoxymethyl)phenyl]boronic acid; [3-(methoxymethyl)phenyl]boronic acid |
IUPAC Name: | [3-(methoxymethyl)phenyl]boronic acid |
Description: | 3-(Methoxymethyl)phenylboronic Acid (CAS# 142273-84-5) is a useful research chemical. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=CC(=CC=C1)COC)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5,10-11H,6H2,1H3 |
InChI Key: | XOSGESMDNPVZKS-UHFFFAOYSA-N |
Boiling Point: | 310.3 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
MDL: | MFCD03412069 |
LogP: | -0.48720 |
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-2021053917-A1 | Novel thyromimetics | 20190301 |
WO-2020180624-A1 | Novel thyromimetics | 20190301 |
US-2020234798-A1 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | 20190117 |
WO-2020123395-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 20181210 |
TW-202039487-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 20181210 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0801244 |
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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