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Naphthalene
CAS: 91-20-3 | C10H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-20-3
Molecular Formula:
C10H8
Molecular Weight:
128.17399999999995 g/mol
Names and Synonyms:
Naphthalene
Naphthalene
Moth flakes
Tar camphor
White tar
Albocarbon
Dezodorator
Naphthene
NSC 37565
Identifiers:
SMILES:
c1ccc2ccccc2c1
InChI:
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.17399999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.062600256 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.839800000000001 | RDKit |
| molecular_mass | 128.17 g/mol | Legacy Database |
| density | 1.16 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Naphthalene None | Legacy Database |
| cas-boiling-point | 217.9 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | C=1C=CC=2C=CC=CC2C1 None | Legacy Database |
| cas-density | 1.162 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H None | Legacy Database |
| cas-inchi-key | InChIKey=UFWIBTONFRDIAS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 80.2 °C None | Legacy Database |
| cas-name | Naphthalene None | Legacy Database |
| wikipedia-name | Naphthalene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.94800000000003 | RDKit |
