Back to Search
Molecule
Oxirane, 2-(Chloromethyl)-, Polymer With Α-Hydro-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl)
CAS: 39443-66-8 · C5H11ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 39443-66-8
- Molecular Formula
- C5H11ClO3
- Molecular Mass
- 154.59 g/mol
Identifiers
CAS Registry Number
39443-66-8
SMILES
ClCC1CO1.OCCO
InChI Key
HRRFUVNAWMTOGH-UHFFFAOYSA-N
InChI
InChI=1S/C3H5ClO.C2H6O2/c4-1-3-2-5-3;3-1-2-4/h3H,1-2H2;3-4H,1-2H2
Names and Synonyms
- Oxirane, 2-(Chloromethyl)-, Polymer With Α-Hydro-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl) Synonym
- Oxirane, 2-(chloromethyl)-, polymer with α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) Synonym
- Oxirane, (chloromethyl)-, polymer with α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) Synonym
- Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy-, polymer with (chloromethyl)oxirane Synonym
- Epichlorohydrin-polyethylene glycol polymer Synonym
- Epichlorohydrin-α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) polymer Synonym
- Epichlorohydrin-polyethylene glycol copolymer Synonym
- Polyethylene glycol-epichlorohydrin copolymer Synonym
- Polyethylene oxide-epichlorohydrin copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.59 g/mol | CAS Common Chemistry |
| 154.593 g/mol | RDKit | |
| Canonical SMILES | ClCC1OC1.OCCO | CAS Common Chemistry |
| InChI | InChI=1S/C3H5ClO.C2H6O2/c4-1-3-2-5-3;3-1-2-4/h3H,1-2H2;3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HRRFUVNAWMTOGH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Oxirane, 2-(chloromethyl)-, polymer with α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.989999999999995 Ų | RDKit |
| 52.99 Ų | RDKit | |
| 49.69 Ų | chempirical lib | |
| LogP | -0.40499999999999997 | RDKit |
| -0.405 | RDKit | |
| Molar Refractivity | 34.6316 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.039671892 g/mol | RDKit |
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
Convert
Quick conversion
MW = 154.59 g/mol. Edit any field — others recompute live.
