Back to Search
4-Hydroxy-3,5-Dimethoxybenzoic Acid Hydrazide
CAS: 1443-76-1 | C9H12N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1443-76-1
Molecular Formula:
C9H12N2O4
Molecular Mass:
212.20 g/mol
Names and Synonyms:
4-Hydroxy-3,5-Dimethoxybenzoic Acid Hydrazide
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, hydrazide
4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide
3,5-Dimethoxy-4-hydroxybenzoic acid hydrazide
NSC 77902
Identifiers:
SMILES:
COc1cc(C(O)=NN)cc(OC)c1O
InChI:
InChI=1S/C9H12N2O4/c1-14-6-3-5(9(13)11-10)4-7(15-2)8(6)12/h3-4,12H,10H2,1-2H3,(H,11,13)
Key Properties
Melting Point
210-215 °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 | 212.20 g/mol | CAS Common Chemistry |
| 212.205 g/mol | RDKit | |
| 212.079706864 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC(OC)=C(O)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O4/c1-14-6-3-5(9(13)11-10)4-7(15-2)8(6)12/h3-4,12H,10H2,1-2H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=AKZAAANGIPRVDU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210-215 °C | CAS Common Chemistry |
| Name | 4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 97.30000000000001 Ų | RDKit |
| LogP | 0.5876999999999999 | RDKit |
| Molar Refractivity | 54.56400000000002 | RDKit |
