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Molecule
O-Terphenyl
CAS: 84-15-1 · C18H14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 84-15-1
- Molecular Formula
- C18H14
- Molecular Mass
- 230.31 g/mol
Identifiers
CAS Registry Number
84-15-1
SMILES
c1ccc(-c2ccccc2-c2ccccc2)cc1
InChI Key
OIAQMFOKAXHPNH-UHFFFAOYSA-N
InChI
InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H
Names and Synonyms
- O-Terphenyl Synonym
- 1,1′:2′,1′′-Terphenyl Synonym
- o-Terphenyl Synonym
- 1,1′-Biphenyl, 2-phenyl- Synonym
- 1,2-Diphenylbenzene Synonym
- NSC 6809 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.1 g/cm3 | CAS Common Chemistry |
| 1.10 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 230.31 g/mol | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC=CC2C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=OIAQMFOKAXHPNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56.2 °C | CAS Common Chemistry |
| Name | o-Terphenyl | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.0206000000000035 | RDKit |
| 5.0206 | RDKit | |
| Molar Refractivity | 77.31400000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 230.109550448 g/mol | RDKit |
| Boiling Point | 332 °C @ 760 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
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MW = 230.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H14.
