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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 Weight:
146.18899999999996 g/mol
Names and Synonyms:
4-Ethenyl-2,3-Dihydrobenzofuran
4-Vinyl-2,3-dihydrobenzofuran
4-Ethenyl-2,3-dihydrobenzofuran
Benzofuran, 4-ethenyl-2,3-dihydro-
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.18899999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.264500000000001 | RDKit |
| molecular_mass | 146.19 g/mol | Legacy Database |
| cas-canonical-smile | O1C2=CC=CC(C=C)=C2CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WLZOPMPOGRQZCJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Ethenyl-2,3-dihydrobenzofuran None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.73200000000003 | RDKit |
