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Salicylic Acid, Hydrazide
CAS: 936-02-7 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
936-02-7
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.15299999999996 g/mol
Names and Synonyms:
Salicylic Acid, Hydrazide
Benzoic acid, 2-hydroxy-, hydrazide
Salicylic acid, hydrazide
o-Hydroxylbenzhydrazide
Salicyloyl hydrazide
2-Hydroxybenzohydrazide
o-Hydroxybenzoic acid hydrazide
o-Hydroxybenzhydrazide
Salicyl hydrazide
2-Hydroxybenzoyl hydrazide
Salicyloylhydrazine
2-Hydroxybenzoic acid hydrazide
o-Hydroxybenzoylhydrazine
o-Hydroxybenzoylhydrazide
2-Hydroxybenzoylhydrazine
Salicylic hydrazide
2-Hydroxybenzenecarboxylic acid hydrazide
o-Hydroxybenzoic hydrazide
NSC 652
2-Hydroxybenzoic hydrazide
o-Hydroxybenzohydrazide
Ortho-hydroxybenzohydrazide
o-Salicyloylhydrazide
2-Hydroxybenzene-1-carbohydrazide
2-Hydroxybenzene-1-carbohydrazonic acid
Identifiers:
SMILES:
NN=C(O)c1ccccc1O
InChI:
InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/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 | 152.15299999999996 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=CC1O | Legacy Database | |
| cas-inchi | InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11) | Legacy Database | |
| cas-inchi-key | InChIKey=XSXYESVZDBAKKT-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 147-150 °C | Legacy Database | |
| cas-name | Salicylic acid, hydrazide | Legacy Database | |
| Molar | Molar Refractivity | 41.460000000000015 | RDKit |
