Cas no 89329-18-0 (2-Propenoic acid, 3-phenyl-, 2,4-dimethylphenyl ester)
89329-18-0 structure
Product Name:2-Propenoic acid, 3-phenyl-, 2,4-dimethylphenyl ester
CAS No:89329-18-0
MF:C17H16O2
MW:252.307744979858
CID:604103
PubChem ID:927130
Update Time:2025-04-19
2-Propenoic acid, 3-phenyl-, 2,4-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-phenyl-, 2,4-dimethylphenyl ester
- (2,4-dimethylphenyl) 3-phenylprop-2-enoate
- DTXSID60358958
- 89329-18-0
-
- Inchi： 1S/C17H16O2/c1-13-8-10-16(14(2)12-13)19-17(18)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3
- InChI Key： CBMLMMPGEQXBRF-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC=CC=1)=O)C1C=CC(C)=CC=1C
Computed Properties
- Exact Mass: 252.115029749g/mol
- Monoisotopic Mass: 252.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 315
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.5
- Topological Polar Surface Area: 26.3?2
2-Propenoic acid, 3-phenyl-, 2,4-dimethylphenyl ester Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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