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Molecule
2-Carboxyethyl Acrylate
CAS: 24615-84-7 · C6H8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24615-84-7
- Molecular Formula
- C6H8O4
- Molecular Mass
- 144.13 g/mol
Identifiers
CAS Registry Number
24615-84-7
SMILES
C=CC(=O)OCCC(=O)O
InChI Key
CYUZOYPRAQASLN-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
Names and Synonyms
- 2-Carboxyethyl Acrylate Synonym
- 2-Propenoic acid, 2-carboxyethyl ester Synonym
- Hydracrylic acid, acrylate Synonym
- 2-Carboxyethyl acrylate Synonym
- β-Hydroxypropionic acid acrylic ester Synonym
- β-(Acryloyloxy)propionic acid Synonym
- β-Carboxyethyl acrylate Synonym
- 3-(Acryloyloxy)propionic acid Synonym
- Acrylic acid dimer Synonym
- Aronix M 566 Synonym
- EM 231 Synonym
- C 800 Synonym
- C 800 (acrylate) Synonym
- Acrylic acid 2-carboxyethyl ester Synonym
- β-CEA Synonym
- 3-Acryloyloxypropanoic acid Synonym
- Miramer CEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.13 g/mol | CAS Common Chemistry |
| 144.126 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCC(=O)O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=CYUZOYPRAQASLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Carboxyethyl acrylate | 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 |
| 63.6 Ų | RDKit | |
| LogP | 0.19029999999999997 | RDKit |
| 0.1903 | RDKit | |
| Molar Refractivity | 33.40879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 144.042258736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 144.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8O4.
