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Molecule
4-Ethenyl-2,3-Dihydrobenzofuran
CAS: 230642-84-9 · C10H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 230642-84-9
- Molecular Formula
- C10H10O
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
230642-84-9
SMILES
C=Cc1cccc2c1CCO2
InChI Key
WLZOPMPOGRQZCJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2
Names and Synonyms
- 4-Ethenyl-2,3-Dihydrobenzofuran Systematic Name
- Benzofuran, 4-ethenyl-2,3-dihydro- Synonym
- 4-Ethenyl-2,3-dihydrobenzofuran Synonym
- 4-Vinyl-2,3-dihydrobenzofuran 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 | |
| Canonical SMILES | O1C2=CC=CC(C=C)=C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WLZOPMPOGRQZCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Ethenyl-2,3-dihydrobenzofuran | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.264500000000001 | RDKit |
| 2.2645 | RDKit | |
| Molar Refractivity | 45.73200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 146.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 146.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O.
