Back to Search
Molecule
Tyrphostin 23
CAS: 118409-57-7 · C10H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 118409-57-7
- Molecular Formula
- C10H6N2O2
- Molecular Mass
- 186.17 g/mol
Identifiers
CAS Registry Number
118409-57-7
SMILES
N#CC(C#N)=Cc1ccc(O)c(O)c1
InChI Key
VTJXFTPMFYAJJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
Names and Synonyms
- Tyrphostin 23 Synonym
- Propanedinitrile, 2-[(3,4-dihydroxyphenyl)methylene]- Synonym
- Propanedinitrile, [(3,4-dihydroxyphenyl)methylene]- Synonym
- 2-[(3,4-Dihydroxyphenyl)methylene]propanedinitrile Synonym
- RG 50810 Synonym
- RG 50858 Synonym
- AG 18 Synonym
- AG 18 (pharmaceutical) Synonym
- TX 825 Synonym
- Tyrphostin 23 Synonym
- Tyrphostin AG 18 Synonym
- Tyrphostin A 23 Synonym
- 2-(3,4-Dihydroxybenzylidene)malononitrile Synonym
- (3,4-Dihydroxybenzylidene)malononitrile Synonym
- 2-[(3,4-Dihydroxyphenyl)methylidene]propanedinitrile Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.17 g/mol | CAS Common Chemistry |
| Canonical SMILES | N#CC(C#N)=CC1=CC=C(O)C(O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=VTJXFTPMFYAJJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225 °C | CAS Common Chemistry |
| Name | Tyrphostin 23 | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 88.04 Ų | RDKit |
| LogP | 1.52836 | RDKit |
| 1.5284 | RDKit | |
| Molar Refractivity | 48.97460000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 186.042927432 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
Convert
Quick conversion
MW = 186.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H6N2O2.
