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4-Ethenyl-2,3-Dihydrobenzofuran
CAS: 230642-84-9 | C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
230642-84-9
Molecular Formula:
C10H10O
Molecular Mass:
146.19 g/mol
Names and Synonyms:
4-Ethenyl-2,3-Dihydrobenzofuran
Benzofuran, 4-ethenyl-2,3-dihydro-
4-Ethenyl-2,3-dihydrobenzofuran
4-Vinyl-2,3-dihydrobenzofuran
Identifiers:
SMILES:
C=Cc1cccc2c1CCO2
InChI:
InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.18899999999996 g/mol | RDKit | |
| 146.07316494 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 |
| Molar Refractivity | 45.73200000000003 | RDKit |
