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1-Tetralone
CAS: 529-34-0 | C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
529-34-0
Molecular Formula:
C10H10O
Molecular Weight:
146.189 g/mol
Names and Synonyms:
1-Tetralone
1(2H)-Naphthalenone, 3,4-dihydro-
3,4-Dihydro-1(2H)-naphthalenone
α-Tetralone
1-Tetralone
1,2,3,4-Tetrahydronaphthalen-1-one
3,4-Dihydro-2H-naphthalen-1-one
1-Oxotetralin
1,2,3,4-Tetrahydro-1-oxonaphthalene
1-Oxo-1,2,3,4-tetrahydronaphthalene
NSC 5171
3,4-Dihydronaphthalen-1(2H)-one
Benzocyclohexan-1-one
3,4-Dihydronaphthalen-1-one
Identifiers:
SMILES:
O=C1CCCc2ccccc21
InChI:
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
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 | 146.189 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 | 2.2056000000000004 | RDKit |
| molecular_mass | 146.19 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Tetralone None | Legacy Database |
| cas-boiling-point | 255-257 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2CCC1 None | Legacy Database |
| cas-density | 1.0988 g/cm3 @ Temp: 16 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=XHLHPRDBBAGVEG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 8 °C None | Legacy Database |
| cas-name | 1-Tetralone None | Legacy Database |
| wikipedia-name | 1-Tetralone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.710500000000025 | RDKit |
