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Molecule
Ethyl Oxanilate
CAS: 1457-85-8 · C10H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1457-85-8
- Molecular Formula
- C10H11NO3
- Molecular Mass
- 193.20 g/mol
Identifiers
CAS Registry Number
1457-85-8
SMILES
CCOC(=O)C(=O)Nc1ccccc1
InChI Key
YDGAUBHNAKCSKF-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)
Names and Synonyms
- Ethyl Oxanilate Synonym
- Acetic acid, 2-oxo-2-(phenylamino)-, ethyl ester Synonym
- Oxanilic acid, ethyl ester Synonym
- Acetic acid, oxo(phenylamino)-, ethyl ester Synonym
- Ethoxydicarbonylaminobenzene Synonym
- Ethyl N-phenyloxalamate Synonym
- N-Phenylethoxalamide Synonym
- Ethyl N-phenyloxamate Synonym
- Ethyl oxanilate Synonym
- Ethyl phenyloxamate Synonym
- NSC 5606 Synonym
- N-Phenyloxamic acid ethyl ester Synonym
- Ethyl 2-(anilino)-2-oxoacetate Synonym
- N-Phenyloxalamic acid ethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.20 g/mol | CAS Common Chemistry |
| 193.20200000000003 g/mol | RDKit | |
| 193.202 g/mol | RDKit | |
| Boiling Point | 280 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(=O)NC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=YDGAUBHNAKCSKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65.5 °C | CAS Common Chemistry |
| Name | Ethyl oxanilate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.400000000000006 Ų | RDKit |
| 55.4 Ų | RDKit | |
| LogP | 1.1882000000000001 | RDKit |
| 1.1882 | RDKit | |
| Molar Refractivity | 51.704700000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 193.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
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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 = 193.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO3.
