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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 Weight:
152.153 g/mol
Names and Synonyms:
3-Hydroxybenzohydrazide
m-Hydroxybenzohydrazide
3-Hydroxybenzoic hydrazide
3-Hydroxybenzhydrazide
m-Hydroxybenzoylhydrazine
m-Hydroxybenzoylhydrazide
m-Hydroxybenzoic hydrazide
3-Hydroxybenzoylhydrazide
3-Hydroxybenzohydrazide
m-Hydroxybenzhydrazide
(3-Hydroxybenzoyl)hydrazine
3-Hydroxybenzoic acid hydrazide
m-Hydroxybenzoic acid hydrazide
Benzoic acid, m-hydroxy-, hydrazide
Benzoic acid, 3-hydroxy-, hydrazide
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)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 152.153 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.058577496 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 78.84 Ų | RDKit |
| Physical Properties | LogP | 0.5705 | RDKit |
| molecular_mass | 152.15 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(NN)C=1C=CC=C(O)C1 | Legacy Database | |
| cas-inchi | InChI=1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11) | Legacy Database | |
| cas-inchi-key | InChIKey=OACGSLLKFCMXSX-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 240 °C | Legacy Database | |
| cas-name | 3-Hydroxybenzohydrazide | Legacy Database | |
| Molar | Molar Refractivity | 41.46000000000001 | RDKit |
