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4-Methoxybenzamide
CAS: 3424-93-9 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3424-93-9
Molecular Formula:
C8H9NO2
Molecular Weight:
151.16500000000002 g/mol
Names and Synonyms:
4-Methoxybenzamide
Benzamide, 4-methoxy-
4-Methoxybenzamide
p-Methoxybenzamide
Anisamide
NSC 11139
p-Anisamide
Identifiers:
SMILES:
COc1ccc(C(N)=O)cc1
InChI:
InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)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 |
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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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.17 g/mol | Legacy Database |
| cas-boiling-point | 295 °C | Legacy Database | |
| cas-canonical-smile | O=C(N)C1=CC=C(OC)C=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10) | Legacy Database | |
| cas-inchi-key | InChIKey=GUCPYIYFQVTFSI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 166.5 °C | Legacy Database | |
| cas-name | 4-Methoxybenzamide | Legacy Database | |
| LogP | 0.7941000000000001 | RDKit | |
| Molecular | Molecular Weight | 151.16500000000002 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 | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 52.32 Ų | RDKit |
| Molar | Molar Refractivity | 41.51190000000001 | RDKit |
