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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
Names and Synonyms:
Glyoxal Bis(2-Hydroxyanil)
Phenol, 2,2′-(1,2-ethanediylidenedinitrilo)bis-
Phenol, 2,2′-(ethanediylidenedinitrilo)di-
2,2′-(1,2-Ethanediylidenedinitrilo)bis[phenol]
Glyoxal bis(2-hydroxyanil)
Glyoxylidenebis(2-hydroxyaniline)
Glyoxal bis(2-hydroxyaniline)
2,2′-(Ethanediylidenedinitrilo)bisphenol
Glyoxal bis(o-hydroxyanil)
Di(2-hydroxyphenylimino)ethane
NSC 68050
Identifiers:
SMILES:
Oc1ccccc1N=CC=Nc1ccccc1O
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
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.26200000000003 g/mol | RDKit | |
| 240.089877624 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 |
| Molar Refractivity | 72.51760000000002 | RDKit |
