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Ethyl 2-(Hydroxymethyl)-2-Propenoate
CAS: 10029-04-6 | C6H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10029-04-6
Molecular Formula:
C6H10O3
Molecular Weight:
130.14299999999997 g/mol
Names and Synonyms:
Ethyl 2-(Hydroxymethyl)-2-Propenoate
2-(Hydroxymethyl)acrylic acid ethyl ester
Ethyl 2-hydroxymethyl-2-propenoate
Ethyl α-hydroxymethacrylate
Ethyl α-(hydroxymethyl)acrylate
2-Propenoic acid, 2-(hydroxymethyl)-, ethyl ester
Ethyl 2-hydroxymethacrylate
H 0916
RHMA-E
Ethyl 2-(hydroxymethyl)acrylate
Ethyl 2-(hydroxymethyl)-2-propenoate
Hydracrylic acid, 2-methylene-, ethyl ester
Acrylic acid, 2-(hydroxymethyl)-, ethyl ester
Identifiers:
SMILES:
C=C(CO)C(=O)OCC
InChI:
InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.14299999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.06299418 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.09800000000000009 | RDKit |
| molecular_mass | 130.14 g/mol | Legacy Database |
| cas-boiling-point | 55-60 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCC)C(=C)CO None | Legacy Database |
| cas-inchi | InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SYGAXBISYRORDR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethyl 2-(hydroxymethyl)-2-propenoate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.85879999999999 | RDKit |
