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Ethyl 2-Cyano-3,3-Diphenylacrylate
CAS: 5232-99-5 | C18H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5232-99-5
Molecular Formula:
C18H15NO2
Molecular Mass:
277.32 g/mol
Names and Synonyms:
Ethyl 2-Cyano-3,3-Diphenylacrylate
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester
Acrylic acid, 2-cyano-3,3-diphenyl-, ethyl ester
Ethyl 2-cyano-3,3-diphenylacrylate
Uvinul N 35
Ethyl α-cyano-β,β-diphenylacrylate
CE 2
UV Absorber 2
Etocrylene
Ethyl α-cyano-β-phenylcinnamate
CE 2 (ultraviolet absorber)
Ethyl 2-cyano-3,3-diphenyl-2-propenoate
Etocrilene
Viosorb 910
2-Cyano-3-phenylcinnamic acid ethyl ester
Uvinul 3035
Seesorb 501
Ethyl 2-cyano-3,3-diphenylpropenoate
NSC 52678
2-Cyano-3,3-diphenyl-2-propenoic acid ethyl ester
N 35
UV 335
UV 3035
Identifiers:
SMILES:
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
Key Properties
Boiling Point
175-182 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
95-97 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.32 g/mol | CAS Common Chemistry |
| 277.32300000000004 g/mol | RDKit | |
| 277.11027872000005 g/mol | RDKit | |
| Boiling Point | 175-182 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CC(C(=O)OCC)=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IAJNXBNRYMEYAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-97 °C | CAS Common Chemistry |
| Name | Ethyl 2-cyano-3,3-diphenylacrylate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.09 Ų | RDKit |
| LogP | 3.5751800000000022 | RDKit |
| Molar Refractivity | 81.15200000000004 | RDKit |
