Back to Search
4-Hydroxy-3,5-Dimethoxybenzamide
CAS: 3086-72-4 | C9H11NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3086-72-4
Molecular Formula:
C9H11NO4
Molecular Mass:
197.19 g/mol
Names and Synonyms:
4-Hydroxy-3,5-Dimethoxybenzamide
Benzamide, 4-hydroxy-3,5-dimethoxy-
4-Hydroxy-3,5-dimethoxybenzamide
Syringamide
NSC 164893
3,5-Dimethoxy-4-hydroxybenzamide
Identifiers:
SMILES:
COc1cc(C(=N)O)cc(OC)c1O
InChI:
InChI=1S/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12)
Key Properties
Melting Point
184-185 °C @ Solvent: Water
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 | 197.19 g/mol | CAS Common Chemistry |
| 197.18999999999997 g/mol | RDKit | |
| 197.068807832 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC(OC)=C(O)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=XWMSEZHMHBQVLE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-185 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 4-Hydroxy-3,5-dimethoxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.77000000000001 Ų | RDKit |
| LogP | 1.29277 | RDKit |
| Molar Refractivity | 50.668300000000016 | RDKit |
