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Molecule
Dialin
CAS: 447-53-0 · C10H10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 447-53-0
- Molecular Formula
- C10H10
- Molecular Mass
- 130.19 g/mol
Identifiers
CAS Registry Number
447-53-0
SMILES
C1=Cc2ccccc2CC1
InChI Key
KEIFWROAQVVDBN-UHFFFAOYSA-N
InChI
InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2
Names and Synonyms
- Dialin Common Name
- Naphthalene, 1,2-dihydro- Synonym
- 1,2-Dihydronaphthalene Synonym
- 1,2-Dialin Synonym
- Dialin Synonym
- Δ1-Dialin Synonym
- NSC 28463 Synonym
- 3,4-Dihydronaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.19 g/mol | CAS Common Chemistry |
| 130.18999999999997 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.002 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dialin | CAS Common Chemistry |
| Boiling Point | 206.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KEIFWROAQVVDBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -8 °C | CAS Common Chemistry |
| Name | 1,2-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 | 2.646000000000001 | RDKit |
| 2.646 | RDKit | |
| Molar Refractivity | 43.797000000000025 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; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10.
