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Molecule
Glyoxal Bis(2-Hydroxyanil)
CAS: 1149-16-2 · C14H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1149-16-2
- Molecular Formula
- C14H12N2O2
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
1149-16-2
SMILES
Oc1ccccc1N=CC=Nc1ccccc1O
InChI Key
FZKAPSZEPRQQGK-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h1-10,17-18H
Names and Synonyms
- Glyoxal Bis(2-Hydroxyanil) Synonym
- Phenol, 2,2′-(1,2-ethanediylidenedinitrilo)bis- Synonym
- Phenol, 2,2′-(ethanediylidenedinitrilo)di- Synonym
- 2,2′-(1,2-Ethanediylidenedinitrilo)bis[phenol] Synonym
- Glyoxal bis(2-hydroxyanil) Synonym
- Glyoxylidenebis(2-hydroxyaniline) Synonym
- Glyoxal bis(2-hydroxyaniline) Synonym
- 2,2′-(Ethanediylidenedinitrilo)bisphenol Synonym
- Glyoxal bis(o-hydroxyanil) Synonym
- Di(2-hydroxyphenylimino)ethane Synonym
- NSC 68050 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.26200000000003 g/mol | RDKit | |
| 240.262 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1N=CC=NC=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h1-10,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=FZKAPSZEPRQQGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glyoxal bis(2-hydroxyanil) | 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 | 3.2026000000000017 | RDKit |
| 3.2026 | RDKit | |
| Molar Refractivity | 72.51760000000002 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.
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MW = 240.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12N2O2.
