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Molecule
Salicylhydrazone
CAS: 3291-00-7 · C7H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3291-00-7
- Molecular Formula
- C7H8N2O
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
3291-00-7
SMILES
NN=Cc1ccccc1O
InChI Key
MYUNWHTZYXUCIK-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O/c8-9-5-6-3-1-2-4-7(6)10/h1-5,10H,8H2
Names and Synonyms
- Salicylhydrazone Common Name
- Benzaldehyde, 2-hydroxy-, hydrazone Synonym
- Salicylaldehyde, hydrazone Synonym
- Salicylic aldehyde hydrazone Synonym
- 2-Hydroxybenzaldehyde hydrazone Synonym
- Salicylhydrazone Synonym
- Salicylidene hydrazone Synonym
- Salzone Synonym
- N-(Aminoformimidoyl)phenol Synonym
- 2-(Hydrazonomethyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.15399999999997 g/mol | RDKit | |
| 136.154 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1C=NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O/c8-9-5-6-3-1-2-4-7(6)10/h1-5,10H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MYUNWHTZYXUCIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | Salicylhydrazone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 0.6848000000000001 | RDKit |
| 0.6848 | RDKit | |
| Molar Refractivity | 39.88820000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 136.063662876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 136.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8N2O.
