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Molecule
1,4-Dihydro-1,4-Epoxynaphthalene
CAS: 573-57-9 · C10H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 573-57-9
- Molecular Formula
- C10H8O
- Molecular Mass
- 144.17 g/mol
Identifiers
CAS Registry Number
573-57-9
SMILES
C1=CC2OC1c1ccccc12
InChI Key
JWCGDNHAPBZVHD-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1-6,9-10H
Names and Synonyms
- 1,4-Dihydro-1,4-Epoxynaphthalene Synonym
- 1,4-Epoxynaphthalene, 1,4-dihydro- Synonym
- 1,4-Dihydro-1,4-epoxynaphthalene Synonym
- 1,4-Dihydronaphthalene-1,4-endo-oxide Synonym
- 1,4-Epoxy-1,4-dihydronaphthalene Synonym
- 7-Oxabenzonorbornadiene Synonym
- 1,4-Dihydronaphthalene-1,4-oxide Synonym
- 1,4-Dihydronaphthalene-1,4-epoxide Synonym
- NSC 101863 Synonym
- Benzooxanorbornadiene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.17 g/mol | CAS Common Chemistry |
| 144.17299999999997 g/mol | RDKit | |
| 144.173 g/mol | RDKit | |
| Canonical SMILES | O1C2C=CC1C=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1-6,9-10H | CAS Common Chemistry |
| InChI Key | InChIKey=JWCGDNHAPBZVHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40 °C | CAS Common Chemistry |
| Name | 1,4-Dihydro-1,4-epoxynaphthalene | 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 | 9.23 Ų | RDKit |
| LogP | 2.3688000000000002 | RDKit |
| 2.3688 | RDKit | |
| Molar Refractivity | 42.14900000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 144.057514876 g/mol | RDKit |
| Boiling Point | 104-105 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 144.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8O.
