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1-Methylnaphthalene
CAS: 90-12-0 | C11H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-12-0
Molecular Formula:
C11H10
Molecular Weight:
142.201 g/mol
Names and Synonyms:
1-Methylnaphthalene
Naphthalene, 1-methyl-
1-Methylnaphthalene
α-Methylnaphthalene
NSC 3574
Methynaph H
Mechinafu H
Identifiers:
SMILES:
Cc1cccc2ccccc12
InChI:
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.20 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Methylnaphthalene None | Legacy Database |
| cas-boiling-point | 240-243 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC2=C(C1)C=CC=C2C None | Legacy Database |
| cas-density | 1.025 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QPUYECUOLPXSFR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -22 °C None | Legacy Database |
| cas-name | 1-Methylnaphthalene None | Legacy Database |
| wikipedia-name | 1-Methylnaphthalene None | Legacy Database |
| LogP | 3.148220000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.201 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.07825032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.68500000000003 | RDKit |
