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Monoethyl Succinate
CAS: 1070-34-4 | C6H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1070-34-4
Molecular Formula:
C6H10O4
Molecular Mass:
146.14 g/mol
Names and Synonyms:
Monoethyl Succinate
Butanedioic acid, 1-ethyl ester
Succinic acid, monoethyl ester
Butanedioic acid, monoethyl ester
Succinic acid, ethyl ester
Ethyl hydrogen succinate
Monoethyl succinate
3-Ethoxycarbonylpropionic acid
4-Ethoxy-4-oxobutanoic acid
Ethyl monosuccinate
Identifiers:
SMILES:
CCOC(=O)CCC(=O)O
InChI:
InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
Key Properties
Boiling Point
147 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
8 °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 | 146.14 g/mol | CAS Common Chemistry |
| 146.142 g/mol | RDKit | |
| 146.0579088 g/mol | RDKit | |
| Boiling Point | 147 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=LOLKAJARZKDJTD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8 °C | CAS Common Chemistry |
| Name | Monoethyl succinate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| LogP | 0.41429999999999995 | RDKit |
| Molar Refractivity | 33.502799999999986 | RDKit |
