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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
Names and Synonyms:
Ethyl Oxanilate
Acetic acid, 2-oxo-2-(phenylamino)-, ethyl ester
Oxanilic acid, ethyl ester
Acetic acid, oxo(phenylamino)-, ethyl ester
Ethoxydicarbonylaminobenzene
Ethyl N-phenyloxalamate
N-Phenylethoxalamide
Ethyl N-phenyloxamate
Ethyl oxanilate
Ethyl phenyloxamate
NSC 5606
N-Phenyloxamic acid ethyl ester
Ethyl 2-(anilino)-2-oxoacetate
N-Phenyloxalamic acid ethyl ester
Identifiers:
SMILES:
CCOC(=O)C(=O)Nc1ccccc1
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)
Key Properties
Boiling Point
280 °C
CAS Common Chemistry
Melting Point
65.5 °C
CAS Common Chemistry
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 | 193.20 g/mol | CAS Common Chemistry |
| 193.20200000000003 g/mol | RDKit | |
| 193.073893212 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 |
| LogP | 1.1882000000000001 | RDKit |
| Molar Refractivity | 51.704700000000024 | RDKit |
