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2-Tetralone
CAS: 530-93-8 | C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
530-93-8
Molecular Formula:
C10H10O
Molecular Weight:
146.18899999999996 g/mol
Names and Synonyms:
2-Tetralone
3,4-Dihydro-1H-naphthalen-2-one
2(1H)-Naphthalenone, 3,4-dihydro-
3,4-Dihydro-2(1H)-naphthalenone
β-Tetralone
2-Tetralone
2-Oxotetralin
1,2,3,4-Tetrahydro-2-naphthalenone
NSC 87083
1,2,3,4-Tetrahydro-2-oxonaphthalene
Identifiers:
SMILES:
O=C1CCc2ccccc2C1
InChI:
InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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 | 146.18899999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.07 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7444000000000002 | RDKit |
| cas-name | 2-Tetralone None | Legacy Database |
| wikipedia-name | 2-Tetralone None | Legacy Database |
| molecular_mass | 146.19 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Tetralone None | Legacy Database |
| cas-boiling-point | 237 °C None | Legacy Database |
| cas-canonical-smile | O=C1CC=2C=CC=CC2CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=KCKZIWSINLBROE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 18 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.474000000000025 | RDKit |
