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9,10-Dimethylanthracene
CAS: 781-43-1 | C16H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
781-43-1
Molecular Formula:
C16H14
Molecular Mass:
206.29 g/mol
Names and Synonyms:
9,10-Dimethylanthracene
Anthracene, 9,10-dimethyl-
9,10-Dimethylanthracene
NSC 4220
Identifiers:
SMILES:
Cc1c2ccccc2c(C)c2ccccc12
InChI:
InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3
Key Properties
Boiling Point
360-362 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
4-182 °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 | 206.29 g/mol | CAS Common Chemistry |
| 206.28799999999998 g/mol | RDKit | |
| 206.109550448 g/mol | RDKit | |
| Boiling Point | 360-362 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C(C1)=C(C=3C=CC=CC3C2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JTGMTYWYUZDRBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 4-182 °C | CAS Common Chemistry |
| Name | 9,10-Dimethylanthracene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.609840000000004 | RDKit |
| Molar Refractivity | 70.92800000000004 | RDKit |
