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Molecule
9-Methylanthracene
CAS: 779-02-2 · C15H12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 779-02-2
- Molecular Formula
- C15H12
- Molecular Mass
- 192.26 g/mol
Identifiers
CAS Registry Number
779-02-2
SMILES
Cc1c2ccccc2cc2ccccc12
InChI Key
CPGPAVAKSZHMBP-UHFFFAOYSA-N
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
Names and Synonyms
- 9-Methylanthracene Systematic Name
- Anthracene, 9-methyl- Synonym
- 9-Methylanthracene Synonym
- NSC 400540 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.26 g/mol | CAS Common Chemistry |
| 192.261 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 |
| 4.3014 | RDKit | |
| Molar Refractivity | 66.19100000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 192.093900384 g/mol | RDKit |
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 = 192.26 g/mol. Edit any field — others recompute live.
