Back to Search
Molecule
2-Methylnaphthalene
CAS: 91-57-6 · C11H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 91-57-6
- Molecular Formula
- C11H10
- Molecular Mass
- 142.20 g/mol
Identifiers
CAS Registry Number
91-57-6
SMILES
Cc1ccc2ccccc2c1
InChI Key
QIMMUPPBPVKWKM-UHFFFAOYSA-N
InChI
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
Names and Synonyms
- 2-Methylnaphthalene Synonym
- NSC 3575 Synonym
- Naphthalene, 2-methyl- Synonym
- 2-Methylnaphthalene Synonym
- β-Methylnaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.201 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.99 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Methylnaphthalene | CAS Common Chemistry |
| Boiling Point | 241.1 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C(C=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QIMMUPPBPVKWKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37-38 °C | CAS Common Chemistry |
| Name | 2-Methylnaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.148220000000001 | RDKit |
| 3.1482 | RDKit | |
| Molar Refractivity | 48.685000000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 142.07825032 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
Convert
Quick conversion
MW = 142.20 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
