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Molecule
Acetaldehyde, Homopolymer
CAS: 9002-91-9 · C2H4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 9002-91-9
- Molecular Formula
- C2H4O
- Molecular Mass
- 44.05 g/mol
Identifiers
CAS Registry Number
9002-91-9
SMILES
CC=O
InChI Key
IKHGUXGNUITLKF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3
Names and Synonyms
- Acetaldehyde, Homopolymer Synonym
- Acetaldehyde, homopolymer Synonym
- Acetaldehyde, polymers Synonym
- Polyacetaldehyde Synonym
- Metaldehyde Synonym
- Acetaldehyde polymer Synonym
- Limovet Synonym
- Limax Synonym
- Slugit Synonym
- Meta Synonym
- Polyethanal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 44.05 g/mol | CAS Common Chemistry |
| 44.053 g/mol | RDKit | |
| Canonical SMILES | O=CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O/c1-2-3/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165 °C | CAS Common Chemistry |
| Name | Acetaldehyde, homopolymer | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 0.2052 | RDKit |
| Molar Refractivity | 11.738000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 44.026214748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 44.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H4O.
