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Molecule
2-Propenoic Acid, Polymer With 2-Hydroxypropyl 2-Propenoate
CAS: 55719-33-0 · C9H14O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55719-33-0
- Molecular Formula
- C9H14O5
- Molecular Mass
- 202.21 g/mol
Identifiers
CAS Registry Number
55719-33-0
SMILES
C=CC(=O)O.C=CC(=O)OCC(C)O
InChI Key
DGZIMLVEXGVYDW-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3.C3H4O2/c1-3-6(8)9-4-5(2)7;1-2-3(4)5/h3,5,7H,1,4H2,2H3;2H,1H2,(H,4,5)
Names and Synonyms
- 2-Propenoic Acid, Polymer With 2-Hydroxypropyl 2-Propenoate Synonym
- 2-Propenoic acid, polymer with 2-hydroxypropyl 2-propenoate Synonym
- 2-Propenoic acid, 2-hydroxypropyl ester, polymer with 2-propenoic acid Synonym
- Acrylic acid-2-hydroxypropyl acrylate copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.21 g/mol | CAS Common Chemistry |
| 202.20599999999996 g/mol | RDKit | |
| 202.206 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=C.O=C(OCC(O)C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O3.C3H4O2/c1-3-6(8)9-4-5(2)7;1-2-3(4)5/h3,5,7H,1,4H2,2H3;2H,1H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=DGZIMLVEXGVYDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Propenoic acid, polymer with 2-hydroxypropyl 2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.83 Ų | RDKit |
| LogP | 0.3534 | RDKit |
| Molar Refractivity | 50.669600000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 202.084123548 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
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MW = 202.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H14O5.
