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3-Methoxybenzohydrazide
CAS: 5785-06-8 | C8H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5785-06-8
Molecular Formula:
C8H10N2O2
Molecular Mass:
166.18 g/mol
Names and Synonyms:
3-Methoxybenzohydrazide
Benzoic acid, 3-methoxy-, hydrazide
m-Anisic acid, hydrazide
m-Methoxybenzohydrazide
m-Methoxybenzoic hydrazide
m-Methoxybenzoylhydrazide
m-Methoxybenzoic acid hydrazide
3-Methoxybenzohydrazide
3-Methoxybenzoylhydrazine
3-Methoxybenzoic acid hydrazide
3-Methoxybenzoylhydrazide
3-Methoxybenzenecarbohydrazide
3-Methoxybenzhydrazide
3-Methoxybenzoic hydrazide
Identifiers:
SMILES:
COc1cccc(C(O)=NN)c1
InChI:
InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
Key Properties
Melting Point
93-95 °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 | 166.18 g/mol | CAS Common Chemistry |
| 166.17999999999998 g/mol | RDKit | |
| 166.07422756 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 |
| Molar Refractivity | 46.34720000000001 | RDKit |
