Back to Search
Molecule
9-Vinylanthracene
CAS: 2444-68-0 · C16H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2444-68-0
- Molecular Formula
- C16H12
- Molecular Mass
- 204.27 g/mol
Identifiers
CAS Registry Number
2444-68-0
SMILES
C=Cc1c2ccccc2cc2ccccc12
InChI Key
OGOYZCQQQFAGRI-UHFFFAOYSA-N
InChI
InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
Names and Synonyms
- 9-Vinylanthracene Synonym
- Anthracene, 9-ethenyl- Synonym
- Anthracene, 9-vinyl- Synonym
- 9-Ethenylanthracene Synonym
- 9-Vinylanthracene Synonym
- NSC 91571 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.27 g/mol | CAS Common Chemistry |
| 204.27199999999996 g/mol | RDKit | |
| 204.272 g/mol | RDKit | |
| Canonical SMILES | C=CC=1C=2C=CC=CC2C=C3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OGOYZCQQQFAGRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64.5-65.5 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 9-Vinylanthracene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.636000000000003 | RDKit |
| 4.636 | RDKit | |
| Molar Refractivity | 71.54500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 204.093900384 g/mol | RDKit |
| Boiling Point | 154 °C @ 0.5 Torr | CAS Common Chemistry |
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 = 204.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H12.
