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Benzoic Acid, 3,4-Dimethoxy-, Hydrazide
CAS: 41764-74-3 | C9H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41764-74-3
Molecular Formula:
C9H12N2O3
Molecular Mass:
196.21 g/mol
Names and Synonyms:
Benzoic Acid, 3,4-Dimethoxy-, Hydrazide
Benzoic acid, 3,4-dimethoxy-, hydrazide
Veratric acid hydrazide
3,4-Dimethoxybenzoic acid hydrazide
3,4-Dimethoxybenzohydrazide
(3,4-Dimethoxybenzoyl)hydrazine
1,2-Dimethoxybenzene-4-carbohydrazide
3,4-Dimethoxybenzhydrazide
3,4-Dimethoxybenzoyl hydrazide
Identifiers:
SMILES:
COc1ccc(C(O)=NN)cc1OC
InChI:
InChI=1S/C9H12N2O3/c1-13-7-4-3-6(9(12)11-10)5-8(7)14-2/h3-5H,10H2,1-2H3,(H,11,12)
Key Properties
Melting Point
145 °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 | 196.21 g/mol | CAS Common Chemistry |
| 196.20599999999996 g/mol | RDKit | |
| 196.084792244 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(OC)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O3/c1-13-7-4-3-6(9(12)11-10)5-8(7)14-2/h3-5H,10H2,1-2H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=LJMQIGMMUZLDOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145 °C | CAS Common Chemistry |
| Name | Benzoic acid, 3,4-dimethoxy-, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 77.07000000000001 Ų | RDKit |
| LogP | 0.8820999999999999 | RDKit |
| Molar Refractivity | 52.899200000000015 | RDKit |
