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Molecule
2-Ethoxybenzamide
CAS: 938-73-8 · C9H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 938-73-8
- Molecular Formula
- C9H11NO2
- Molecular Mass
- 165.19 g/mol
Identifiers
CAS Registry Number
938-73-8
SMILES
CCOc1ccccc1C(=N)O
InChI Key
SBNKFTQSBPKMBZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
Names and Synonyms
- 2-Ethoxybenzamide Synonym
- Benzamide, 2-ethoxy- Synonym
- Benzamide, o-ethoxy- Synonym
- 2-Ethoxybenzamide Synonym
- Ethenzamide Synonym
- Ethosalicyl Synonym
- o-Ethoxybenzamide Synonym
- Etosalicyl Synonym
- Ethbenzamide Synonym
- Lucamide Synonym
- Protopyrin Synonym
- Trancalgyl Synonym
- Etamide Synonym
- Pirosolvina Synonym
- Ethenzamid Synonym
- Etocil Synonym
- Etosalicil Synonym
- Eusal Synonym
- Katagrippe Synonym
- NSC 28787 Synonym
- Etenzamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.192 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=1C=CC=CC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=SBNKFTQSBPKMBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133 °C | CAS Common Chemistry |
| Name | 2-Ethoxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.31 Ų | RDKit |
| LogP | 1.96867 | RDKit |
| 1.9687 | RDKit | |
| Molar Refractivity | 47.068500000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 165.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 165.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
