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5,8-Dihydro-1-Naphthol
CAS: 27673-48-9 | C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 27673-48-9
- Molecular Formula
- C10H10O
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
27673-48-9
SMILES
Oc1cccc2c1CC=CC2
InChI Key
OAHLLHJOPUWLKW-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2
Names and Synonyms
- 5,8-Dihydro-1-Naphthol Systematic Name
- 1-Naphthalenol, 5,8-dihydro- Synonym
- 1-Naphthol, 5,8-dihydro- Synonym
- 5,8-Dihydro-1-naphthalenol Synonym
- 5,8-Dihydro-1-naphthol Synonym
- NSC 125584 Synonym
- 5-Hydroxy-1,4-dihydronaphthalene Synonym
- 5,8-Dihydronaphthalen-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.189 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=CC2=C1CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OAHLLHJOPUWLKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | 5,8-Dihydro-1-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.0469999999999997 | RDKit |
| 2.047 | RDKit | |
| 1.94 | chempirical lib | |
| Molar Refractivity | 44.654800000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 146.07316494 g/mol | RDKit |
| Boiling Point | 120 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C10H10O.
