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2-Methoxybenzamide
CAS: 2439-77-2 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2439-77-2
Molecular Formula:
C8H9NO2
Molecular Weight:
151.165 g/mol
Names and Synonyms:
2-Methoxybenzamide
Benzamide, 2-methoxy-
o-Anisamide
Benzamide, o-methoxy-
2-Methoxybenzamide
o-Methoxybenzamide
Orthopramide
NSC 84232
Identifiers:
SMILES:
COc1ccccc1C(=N)O
InChI:
InChI=1S/C8H9NO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
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 | 151.165 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.063328528 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 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 | 53.31 Ų | RDKit |
| Physical Properties | LogP | 1.57857 | RDKit |
| cas-melting-point | 127.5 °C | Legacy Database | |
| molecular_mass | 151.17 g/mol | Legacy Database | |
| cas-boiling-point | 147-149 °C @ Press: 24 Torr | Legacy Database | |
| cas-canonical-smile | O=C(N)C=1C=CC=CC1OC | Legacy Database | |
| cas-inchi | InChI=1S/C8H9NO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10) | Legacy Database | |
| cas-inchi-key | InChIKey=MNWSGMTUGXNYHJ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 2-Methoxybenzamide | Legacy Database | |
| Molar | Molar Refractivity | 42.45150000000002 | RDKit |
