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Cyclohexyl Acrylate
CAS: 3066-71-5 | C9H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3066-71-5
Molecular Formula:
C9H14O2
Molecular Weight:
154.20899999999997 g/mol
Names and Synonyms:
Cyclohexyl Acrylate
2-Propenoic acid, cyclohexyl ester
Acrylic acid, cyclohexyl ester
Cyclohexyl acrylate
Sartomer SR 220
SR 220
Viscoat 155
NSC 18612
Viscoat 115
V 155
Cyclohexyl 2-propenoate
Blemmer CHA
Identifiers:
SMILES:
C=CC(=O)OC1CCCCC1
InChI:
InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.20899999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.099379688 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 26.3 Ų | RDKit |
| Physical Properties | LogP | 2.0483000000000002 | RDKit |
| molecular_mass | 154.21 g/mol | Legacy Database | |
| density | 0.97 g/cm³ | Legacy Database | |
| cas-boiling-point | 75 °C @ Press: 11 Torr | Legacy Database | |
| cas-canonical-smile | O=C(OC1CCCCC1)C=C | Legacy Database | |
| cas-density | 0.9705 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2 | Legacy Database | |
| cas-inchi-key | InChIKey=KBLWLMPSVYBVDK-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Cyclohexyl acrylate | Legacy Database | |
| Molar | Molar Refractivity | 43.16200000000001 | RDKit |
