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Molecule
Ethyl 2-(Hydroxymethyl)-2-Propenoate
CAS: 10029-04-6 · C6H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10029-04-6
- Molecular Formula
- C6H10O3
- Molecular Mass
- 130.14 g/mol
Identifiers
CAS Registry Number
10029-04-6
SMILES
C=C(CO)C(=O)OCC
InChI Key
SYGAXBISYRORDR-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3
Names and Synonyms
- Ethyl 2-(Hydroxymethyl)-2-Propenoate Common Name
- 2-Propenoic acid, 2-(hydroxymethyl)-, ethyl ester Synonym
- Acrylic acid, 2-(hydroxymethyl)-, ethyl ester Synonym
- Hydracrylic acid, 2-methylene-, ethyl ester Synonym
- Ethyl 2-(hydroxymethyl)-2-propenoate Synonym
- Ethyl α-(hydroxymethyl)acrylate Synonym
- Ethyl 2-(hydroxymethyl)acrylate Synonym
- Ethyl α-hydroxymethacrylate Synonym
- Ethyl 2-hydroxymethyl-2-propenoate Synonym
- RHMA-E Synonym
- H 0916 Synonym
- 2-(Hydroxymethyl)acrylic acid ethyl ester Synonym
- Ethyl 2-hydroxymethacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.14 g/mol | CAS Common Chemistry |
| 130.14299999999997 g/mol | RDKit | |
| 130.143 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C(=C)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SYGAXBISYRORDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 2-(hydroxymethyl)-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 0.09800000000000009 | RDKit |
| 0.098 | RDKit | |
| Molar Refractivity | 32.85879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 130.06299418 g/mol | RDKit |
| Boiling Point | 55-60 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 130.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O3.
