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Molecule
2-Tetralone
CAS: 530-93-8 · C10H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 530-93-8
- Molecular Formula
- C10H10O
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
530-93-8
SMILES
O=C1CCc2ccccc2C1
InChI Key
KCKZIWSINLBROE-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
Names and Synonyms
- 2-Tetralone Synonym
- 3,4-Dihydro-1H-naphthalen-2-one Synonym
- 2(1H)-Naphthalenone, 3,4-dihydro- Synonym
- 3,4-Dihydro-2(1H)-naphthalenone Synonym
- β-Tetralone Synonym
- 2-Tetralone Synonym
- 2-Oxotetralin Synonym
- 1,2,3,4-Tetrahydro-2-naphthalenone Synonym
- NSC 87083 Synonym
- 1,2,3,4-Tetrahydro-2-oxonaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.18899999999996 g/mol | RDKit | |
| 146.189 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Tetralone | CAS Common Chemistry |
| Boiling Point | 237 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1CC=2C=CC=CC2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KCKZIWSINLBROE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 18 °C | CAS Common Chemistry |
| Name | 2-Tetralone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.7444000000000002 | RDKit |
| 1.7444 | RDKit | |
| Molar Refractivity | 43.474000000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 146.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 146.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O.
