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Molecule
Benzoic Acid, 3,4-Dimethoxy-, Hydrazide
CAS: 41764-74-3 · C9H12N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41764-74-3
- Molecular Formula
- C9H12N2O3
- Molecular Mass
- 196.21 g/mol
Identifiers
CAS Registry Number
41764-74-3
SMILES
COc1ccc(C(O)=NN)cc1OC
InChI Key
LJMQIGMMUZLDOC-UHFFFAOYSA-N
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)
Names and Synonyms
- Benzoic Acid, 3,4-Dimethoxy-, Hydrazide Systematic Name
- Benzoic acid, 3,4-dimethoxy-, hydrazide Synonym
- Veratric acid hydrazide Synonym
- 3,4-Dimethoxybenzoic acid hydrazide Synonym
- 3,4-Dimethoxybenzohydrazide Synonym
- (3,4-Dimethoxybenzoyl)hydrazine Synonym
- 1,2-Dimethoxybenzene-4-carbohydrazide Synonym
- 3,4-Dimethoxybenzhydrazide Synonym
- 3,4-Dimethoxybenzoyl hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.21 g/mol | CAS Common Chemistry |
| 196.20599999999996 g/mol | RDKit | |
| 196.206 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 |
| 77.07 Ų | RDKit | |
| LogP | 0.8820999999999999 | RDKit |
| 0.8821 | RDKit | |
| Molar Refractivity | 52.899200000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 196.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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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.
External Resources
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MW = 196.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2O3.
