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(E)-Stilbene
CAS: 103-30-0 | C14H12
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
103-30-0
Molecular Formula:
C14H12
Molecular Mass:
180.25 g/mol
Names and Synonyms:
(E)-Stilbene
Benzene, 1,1′-(1E)-1,2-ethenediylbis-
Stilbene, (E)-
Benzene, 1,1′-(1,2-ethenediyl)bis-, (E)-
Stilbene, trans-
1,1′-(1E)-1,2-Ethenediylbis[benzene]
trans-α,β-Diphenylethylene
trans-1,2-Diphenylethylene
trans-Stilbene
trans-1,2-Diphenylethene
(E)-1,2-Diphenylethylene
trans-Diphenylethene
(E)-1,2-Diphenylethene
(E)-Stilbene
NSC 2069
Identifiers:
SMILES:
C(=C/c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
Key Properties
Boiling Point
306-307 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
124 °C
CAS Common Chemistry
Density
0.97 g/cm³
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 | 180.25 g/mol | CAS Common Chemistry |
| 180.24999999999997 g/mol | RDKit | |
| 180.093900384 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9707 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(E)-Stilbene | CAS Common Chemistry |
| Boiling Point | 306-307 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+ | CAS Common Chemistry |
| InChI Key | InChIKey=PJANXHGTPQOBST-VAWYXSNFSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | trans-Stilbene | CAS Common Chemistry |
| (E)-Stilbene | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.857000000000003 | RDKit |
| Molar Refractivity | 61.81200000000003 | RDKit |
