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Molecule
1,4-Dihydronaphthalene
CAS: 612-17-9 · C10H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 612-17-9
- Molecular Formula
- C10H10
- Molecular Mass
- 130.19 g/mol
Identifiers
CAS Registry Number
612-17-9
SMILES
C1=CCc2ccccc2C1
InChI Key
FUPIVZHYVSCYLX-UHFFFAOYSA-N
InChI
InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2
Names and Synonyms
- 1,4-Dihydronaphthalene Systematic Name
- Naphthalene, 1,4-dihydro- Synonym
- 1,4-Dihydronaphthalene Synonym
- Δ2-Dialin Synonym
- NSC 97894 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.19 g/mol | CAS Common Chemistry |
| 130.18999999999994 g/mol | RDKit | |
| Boiling Point | 211.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FUPIVZHYVSCYLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25 °C | CAS Common Chemistry |
| Name | 1,4-Dihydronaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.3414 | RDKit |
| 2.23 | chempirical lib | |
| Molar Refractivity | 42.99000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 130.07825032 g/mol | RDKit |
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
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MW = 130.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10.
