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Molecule
Octocrylene
CAS: 6197-30-4 · C24H27NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6197-30-4
- Molecular Formula
- C24H27NO2
- Molecular Mass
- 361.49 g/mol
Identifiers
CAS Registry Number
6197-30-4
SMILES
CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
InChI Key
FMJSMJQBSVNSBF-UHFFFAOYSA-N
InChI
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
Names and Synonyms
- Octocrylene Synonym
- 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester Synonym
- Acrylic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester Synonym
- Agent AT 539 Synonym
- Uvinul N 539 Synonym
- 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate Synonym
- 2-Ethylhexyl α-cyano-β-phenylcinnamate Synonym
- Octocrylene Synonym
- 2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate Synonym
- Octocrilene Synonym
- 2′-Ethylhexyl 2-cyano-3-phenylcinnamate Synonym
- Viosorb 930 Synonym
- 2-Ethylhexyl α-cyano-β,β′-diphenylacrylate Synonym
- Uvinul 3039 Synonym
- Eusolex OCR Synonym
- Sanduvor 3039 Synonym
- Neo Heliopan 303 Synonym
- Uvinul N 539T Synonym
- Uvinul N 539SG Synonym
- 2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester Synonym
- CA 1 (light stabilizer) Synonym
- CA 1 Synonym
- Parsol 340 Synonym
- Seesorb 502 Synonym
- Escalol 597 Synonym
- 2-Ethylhexyl-3,3-diphenylcyanoacrylate Synonym
- N 539 Synonym
- UV 3039 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.49 g/mol | CAS Common Chemistry |
| 361.485 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octocrylene | CAS Common Chemistry |
| Canonical SMILES | N#CC(C(=O)OCC(CC)CCCC)=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FMJSMJQBSVNSBF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octocrylene | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.09 Ų | RDKit |
| LogP | 5.771680000000005 | RDKit |
| 5.7717 | RDKit | |
| Molar Refractivity | 108.78400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 361.20417910400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 361.49 g/mol. Edit any field — others recompute live.
