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3-Hydroxybenzohydrazide
CAS: 5818-06-4 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5818-06-4
Molecular Formula:
C7H8N2O2
Molecular Mass:
152.15 g/mol
Names and Synonyms:
3-Hydroxybenzohydrazide
Benzoic acid, 3-hydroxy-, hydrazide
Benzoic acid, m-hydroxy-, hydrazide
m-Hydroxybenzoic acid hydrazide
3-Hydroxybenzoic acid hydrazide
(3-Hydroxybenzoyl)hydrazine
m-Hydroxybenzhydrazide
3-Hydroxybenzohydrazide
3-Hydroxybenzoylhydrazide
m-Hydroxybenzoic hydrazide
m-Hydroxybenzoylhydrazide
m-Hydroxybenzoylhydrazine
3-Hydroxybenzhydrazide
3-Hydroxybenzoic hydrazide
m-Hydroxybenzohydrazide
Identifiers:
SMILES:
NN=C(O)c1cccc(O)c1
InChI:
InChI=1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11)
Key Properties
Melting Point
240 °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 | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| 152.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=C(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=OACGSLLKFCMXSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | 3-Hydroxybenzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.84 Ų | RDKit |
| LogP | 0.5705 | RDKit |
| Molar Refractivity | 41.46000000000001 | RDKit |
