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Molecule
Salicylaldazine
CAS: 959-36-4 · C14H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 959-36-4
- Molecular Formula
- C14H12N2O2
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
959-36-4
SMILES
Oc1ccccc1C=NN=Cc1ccccc1O
InChI Key
STOVYWBRBMYHPC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H
Names and Synonyms
- Salicylaldazine Common Name
- Benzaldehyde, 2-hydroxy-, 2-[(2-hydroxyphenyl)methylene]hydrazone Synonym
- Salicylaldehyde, azine Synonym
- Benzaldehyde, 2-hydroxy-, [(2-hydroxyphenyl)methylene]hydrazone Synonym
- Salicylaldazine Synonym
- Salicylalazine Synonym
- Salicylazine Synonym
- 2,2′-Dihydroxybenzalazine Synonym
- Salazine Synonym
- o-Hydroxybenzaldazine Synonym
- N,N′-Bis(salicylidene)hydrazine Synonym
- NSC 695048 Synonym
- NSC 864 Synonym
- Bis[2-hydroxybenzaldehyde] hydrazone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.262 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1C=NN=CC=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=STOVYWBRBMYHPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213 °C | CAS Common Chemistry |
| Name | Salicylaldazine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.550800000000001 | RDKit |
| 2.5508 | RDKit | |
| Molar Refractivity | 71.40160000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 240.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12N2O2.
