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Molecule
2,3-Dihydro-2-Methylbenzofuran
CAS: 1746-11-8 · C9H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1746-11-8
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
1746-11-8
SMILES
CC1Cc2ccccc2O1
InChI Key
BWCJVGMZEQDOMY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3
Names and Synonyms
- 2,3-Dihydro-2-Methylbenzofuran Synonym
- Benzofuran, 2,3-dihydro-2-methyl- Synonym
- 2,3-Dihydro-2-methylbenzofuran Synonym
- 2-Methyl-2,3-dihydrobenzofuran Synonym
- 2-Methylcoumaran Synonym
- 2,3-Dihydro-2-methylbenzo[b]furan Synonym
- 2-Methyl-2,3-dihydro-1-benzo[b]furan Synonym
- NSC 403556 Synonym
- 2-Methyl-2,3-dihydrobenzo[b]furan Synonym
- 2-Methyl-2,3-dihydro-1-benzofuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.17799999999997 g/mol | RDKit | |
| 134.178 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.038 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Boiling Point | 197.5 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=2C=CC=CC2CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BWCJVGMZEQDOMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dihydro-2-methylbenzofuran | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.01 | RDKit |
| 1.9 | chempirical lib | |
| Molar Refractivity | 40.23600000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 134.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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 = 134.18 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
