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Ethyl N-Hydroxyethanimidate
CAS: 10576-12-2 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10576-12-2
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
Ethyl N-Hydroxyethanimidate
Ethanimidic acid, N-hydroxy-, ethyl ester
Acetohydroximic acid, ethyl ester
Ethyl acetate, oxime
Ethyl N-hydroxyethanimidate
Ethyl acetohydroximate
Ethyl acetohydroxamate
Ethyl N-hydroxyacetimidate
NSC 255004
N-Hydroxyacetimidic acid ethyl ester
Ethyl N-hydroxylacetimidate
Identifiers:
SMILES:
CCOC(C)=NO
InChI:
InChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3
Key Properties
Boiling Point
59-60 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
25-26 °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 | 103.12 g/mol | CAS Common Chemistry |
| 103.121 g/mol | RDKit | |
| 103.063328528 g/mol | RDKit | |
| Boiling Point | 59-60 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | ON=C(OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWKAVVNRCKPKNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25-26 °C | CAS Common Chemistry |
| Name | Ethyl N-hydroxyethanimidate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 0.8305 | RDKit |
| Molar Refractivity | 26.52149999999999 | RDKit |
