Back to Search
Molecule
4-(Acryloyloxy)Benzophenone
CAS: 22535-49-5 · C16H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22535-49-5
- Molecular Formula
- C16H12O3
- Molecular Mass
- 252.27 g/mol
Identifiers
CAS Registry Number
22535-49-5
SMILES
C=CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChI Key
LTYBJDPMCPTGEE-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2
Names and Synonyms
- 4-(Acryloyloxy)Benzophenone Systematic Name
- 2-Propenoic acid, 4-benzoylphenyl ester Synonym
- Acrylic acid, ester with 4-hydroxybenzophenone Synonym
- Benzophenone, 4-hydroxy-, acrylate Synonym
- p-Acryloxybenzophenone Synonym
- 4-Acryloxybenzophenone Synonym
- 4-Benzoylphenyl acrylate Synonym
- 4-(Acryloyloxy)benzophenone Synonym
- 4-Acryloylbenzophenone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.27 g/mol | CAS Common Chemistry |
| 252.269 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C(C=C1)C(=O)C=2C=CC=CC2)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LTYBJDPMCPTGEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48.5 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | 4-(Acryloyloxy)benzophenone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 3.0090000000000012 | RDKit |
| 3.009 | RDKit | |
| Molar Refractivity | 72.14850000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 252.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 252.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H12O3.
