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9-Anthrylmethyl Methacrylate
CAS: 31645-35-9 | C19H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 31645-35-9
- Molecular Formula
- C19H16O2
- Molecular Mass
- 276.34 g/mol
Identifiers
CAS Registry Number
31645-35-9
SMILES
C=C(C)C(=O)OCc1c2ccccc2cc2ccccc12
InChI Key
MJYSISMEPNOHEG-UHFFFAOYSA-N
InChI
InChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3
Names and Synonyms
- 9-Anthrylmethyl Methacrylate Systematic Name
- 2-Propenoic acid, 2-methyl-, 9-anthracenylmethyl ester Synonym
- Methacrylic acid, 9-anthrylmethyl ester Synonym
- 9-Anthracenemethanol, methacrylate Synonym
- 9-Anthrylmethyl methacrylate Synonym
- 9-(Methacryloyloxymethyl)anthracene Synonym
- 9-Anthracenylmethyl methacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.34 g/mol | CAS Common Chemistry |
| 276.33500000000004 g/mol | RDKit | |
| 276.335 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=2C=CC=CC2C=C3C=CC=CC31)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MJYSISMEPNOHEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-86.5 °C @ Solvent: Ethanol, Diethyl ether | CAS Common Chemistry |
| Name | 9-Anthrylmethyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.612300000000003 | RDKit |
| 4.6123 | RDKit | |
| Molar Refractivity | 86.06400000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 276.115029752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
