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Molecule
3-Methoxybenzohydrazide
CAS: 5785-06-8 · C8H10N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5785-06-8
- Molecular Formula
- C8H10N2O2
- Molecular Mass
- 166.18 g/mol
Identifiers
CAS Registry Number
5785-06-8
SMILES
COc1cccc(C(O)=NN)c1
InChI Key
VMZSDAQEWPNOIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- 3-Methoxybenzohydrazide Systematic Name
- Benzoic acid, 3-methoxy-, hydrazide Synonym
- m-Anisic acid, hydrazide Synonym
- m-Methoxybenzohydrazide Synonym
- m-Methoxybenzoic hydrazide Synonym
- m-Methoxybenzoylhydrazide Synonym
- m-Methoxybenzoic acid hydrazide Synonym
- 3-Methoxybenzohydrazide Synonym
- 3-Methoxybenzoylhydrazine Synonym
- 3-Methoxybenzoic acid hydrazide Synonym
- 3-Methoxybenzoylhydrazide Synonym
- 3-Methoxybenzenecarbohydrazide Synonym
- 3-Methoxybenzhydrazide Synonym
- 3-Methoxybenzoic hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.18 g/mol | CAS Common Chemistry |
| 166.17999999999998 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=C(OC)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=VMZSDAQEWPNOIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-95 °C | CAS Common Chemistry |
| Name | 3-Methoxybenzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 0.8734999999999999 | RDKit |
| 0.8735 | RDKit | |
| Molar Refractivity | 46.34720000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 166.07422756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 166.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O2.
