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Molecule
Ethyl 2-Cyano-3,3-Diphenylacrylate
CAS: 5232-99-5 · C18H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5232-99-5
- Molecular Formula
- C18H15NO2
- Molecular Mass
- 277.32 g/mol
Identifiers
CAS Registry Number
5232-99-5
SMILES
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
InChI Key
IAJNXBNRYMEYAZ-UHFFFAOYSA-N
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
Names and Synonyms
- Ethyl 2-Cyano-3,3-Diphenylacrylate Systematic Name
- 2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester Synonym
- Acrylic acid, 2-cyano-3,3-diphenyl-, ethyl ester Synonym
- Ethyl 2-cyano-3,3-diphenylacrylate Synonym
- Uvinul N 35 Synonym
- Ethyl α-cyano-β,β-diphenylacrylate Synonym
- CE 2 Synonym
- UV Absorber 2 Synonym
- Etocrylene Synonym
- Ethyl α-cyano-β-phenylcinnamate Synonym
- CE 2 (ultraviolet absorber) Synonym
- Ethyl 2-cyano-3,3-diphenyl-2-propenoate Synonym
- Etocrilene Synonym
- Viosorb 910 Synonym
- 2-Cyano-3-phenylcinnamic acid ethyl ester Synonym
- Uvinul 3035 Synonym
- Seesorb 501 Synonym
- Ethyl 2-cyano-3,3-diphenylpropenoate Synonym
- NSC 52678 Synonym
- 2-Cyano-3,3-diphenyl-2-propenoic acid ethyl ester Synonym
- N 35 Synonym
- UV 335 Synonym
- UV 3035 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.32 g/mol | CAS Common Chemistry |
| 277.32300000000004 g/mol | RDKit | |
| 277.323 g/mol | RDKit | |
| 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 |
| 3.5752 | RDKit | |
| Molar Refractivity | 81.15200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 277.11027872000005 g/mol | RDKit |
| Boiling Point | 175-182 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 277.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H15NO2.
