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9-Methylanthracene
CAS: 779-02-2 | C15H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
779-02-2
Molecular Formula:
C15H12
Molecular Mass:
192.26 g/mol
Names and Synonyms:
9-Methylanthracene
Anthracene, 9-methyl-
9-Methylanthracene
NSC 400540
Identifiers:
SMILES:
Cc1c2ccccc2cc2ccccc12
InChI:
InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
Key Properties
Boiling Point
196-197 °C
CAS Common Chemistry
Melting Point
81.5 °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 | 192.26 g/mol | CAS Common Chemistry |
| 192.261 g/mol | RDKit | |
| 192.093900384 g/mol | RDKit | |
| Boiling Point | 196-197 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=C3C=CC=CC3=C2C | CAS Common Chemistry |
| InChI | InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CPGPAVAKSZHMBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81.5 °C | CAS Common Chemistry |
| Name | 9-Methylanthracene | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 4.301420000000003 | RDKit |
| Molar Refractivity | 66.19100000000003 | RDKit |
