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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 Weight:
151.958 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.958 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.064474548 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 49.69 Ų | RDKit |
| Physical Properties | LogP | -0.6250000000000001 | RDKit |
| molecular_mass | 151.96 g/mol | Legacy Database | |
| cas-canonical-smile | OB(O)C=1C=CC=CC1OC | Legacy Database | |
| cas-inchi | InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=ROEQGIFOWRQYHD-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 80-81 °C | Legacy Database | |
| cas-name | 2-Methoxyphenylboronic acid | Legacy Database | |
| Molar | Molar Refractivity | 42.81960000000002 | RDKit |
