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Trans-Stilbene Oxide
CAS: 1439-07-2 | C14H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1439-07-2
Molecular Formula:
C14H12O
Molecular Mass:
196.25 g/mol
Names and Synonyms:
Trans-Stilbene Oxide
Oxirane, 2,3-diphenyl-, (2R,3R)-rel-
Bibenzyl, α,α′-epoxy-, trans-
Oxirane, 2,3-diphenyl-, trans-
rel-(2R,3R)-2,3-Diphenyloxirane
trans-Stilbene oxide
trans-Stilbene epoxide
trans-2,3-Diphenyloxirane
trans-Diphenyl-1,2-epoxyethane
(E)-Stilbene oxide
trans-α,α′-Epoxybibenzyl
trans-1,2-Diphenylethylene oxide
(±)-trans-Stilbene oxide
trans-(±)-2,3-Diphenyloxirane
(±)-trans-2,3-Diphenyloxirane
NSC 100317
NSC 40295
(2R,3R)-rel-2,3-Diphenyloxirane
(E)-Stilbene epoxide
Identifiers:
SMILES:
c1ccc([C@@H]2O[C@H]2c2ccccc2)cc1
InChI:
InChI=1/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/s2
Key Properties
Boiling Point
118-120 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
69-70 °C
CAS Common Chemistry
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 | 196.25 g/mol | CAS Common Chemistry |
| 196.249 g/mol | RDKit | |
| 196.088815004 g/mol | RDKit | |
| Boiling Point | 118-120 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O1C(C=2C=CC=CC2)C1C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=ARCJQKUWGAZPFX-ZCWZLOQUNA-N | CAS Common Chemistry |
| Melting Point | 69-70 °C | CAS Common Chemistry |
| Name | trans-Stilbene oxide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 3.499200000000002 | RDKit |
| Molar Refractivity | 59.451000000000036 | RDKit |
