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Molecule
Salicylaldehyde Salicyloylhydrazone
CAS: 3232-36-8 · C14H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3232-36-8
- Molecular Formula
- C14H12N2O3
- Molecular Mass
- 256.26 g/mol
Identifiers
CAS Registry Number
3232-36-8
SMILES
OC(=NN=Cc1ccccc1O)c1ccccc1O
InChI Key
OMCYEZUIYGPHDJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,17-18H,(H,16,19)
Names and Synonyms
- Salicylaldehyde Salicyloylhydrazone Common Name
- Benzoic acid, 2-hydroxy-, 2-[(2-hydroxyphenyl)methylene]hydrazide Synonym
- Salicylic acid, salicylidenehydrazide Synonym
- Benzoic acid, 2-hydroxy-, [(2-hydroxyphenyl)methylene]hydrazide Synonym
- Hydrazine, 1-salicylidene-2-salicyloyl- Synonym
- Salicyl N-salicylidenehydrazide Synonym
- N-Salicylidene-N′-salicylhydrazide Synonym
- N-Salicylidene-N′-salicyloylhydrazine Synonym
- N′-Salicylidenesalicylic acid hydrazide Synonym
- Chel 180 Synonym
- Salicylic salicylidenehydrazide Synonym
- Salicylaldehyde salicyloylhydrazone Synonym
- NSC 692002 Synonym
- NSC 87864 Synonym
- Salicylaldehyde 2-hydroxybenzoylhydrazone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.26 g/mol | CAS Common Chemistry |
| 256.26099999999997 g/mol | RDKit | |
| 256.261 g/mol | RDKit | |
| Canonical SMILES | O=C(NN=CC=1C=CC=CC1O)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,17-18H,(H,16,19) | CAS Common Chemistry |
| InChI Key | InChIKey=OMCYEZUIYGPHDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277 °C | CAS Common Chemistry |
| Name | Salicylaldehyde salicyloylhydrazone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 85.41000000000001 Ų | RDKit |
| 85.41 Ų | RDKit | |
| LogP | 2.436500000000001 | RDKit |
| 2.4365 | RDKit | |
| Molar Refractivity | 72.97340000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 256.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 256.26 g/mol. Edit any field — others recompute live.
