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2-Methoxyphenylboronic Acid
CAS: 5720-06-9 | C7H9BO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5720-06-9
Molecular Formula:
C7H9BO3
Molecular Mass:
151.96 g/mol
Names and Synonyms:
2-Methoxyphenylboronic Acid
Boronic acid, B-(2-methoxyphenyl)-
Benzeneboronic acid, o-methoxy-
Boronic acid, (2-methoxyphenyl)-
B-(2-Methoxyphenyl)boronic acid
o-Methoxybenzeneboronic acid
o-Anisylboronic acid
o-Methoxyphenylboronic acid
(2-Methoxyphenyl)boric acid
2-Methoxybenzeneboronic acid
2-Methoxyphenylboronic acid
Identifiers:
SMILES:
COc1ccccc1B(O)O
InChI:
InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
Key Properties
Melting Point
80-81 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.96 g/mol | CAS Common Chemistry |
| 151.958 g/mol | RDKit | |
| 152.064474548 g/mol | RDKit | |
| Canonical SMILES | OB(O)C=1C=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ROEQGIFOWRQYHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-81 °C | CAS Common Chemistry |
| Name | 2-Methoxyphenylboronic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | -0.6250000000000001 | RDKit |
| Molar Refractivity | 42.81960000000002 | RDKit |
