Cas no 55153-20-3 (Benzoic acid, 3-methyl-, 2-oxo-2-phenylethyl ester)
55153-20-3 structure
Product Name:Benzoic acid, 3-methyl-, 2-oxo-2-phenylethyl ester
CAS No:55153-20-3
MF:C16H14O3
MW:254.280564785004
CID:1594825
PubChem ID:570678
Update Time:2025-04-21
Benzoic acid, 3-methyl-, 2-oxo-2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-methyl-, 2-oxo-2-phenylethyl ester
- 3-Methylbenzoic acid phenacyl ester
- phenacyl 3-methylbenzoate
- AKOS005427295
- 55153-20-3
- STK285394
- DB-315494
- DTXSID70341154
- 2-Oxo-2-phenylethyl 3-methylbenzoate #
- YWTZIPIBXULXBW-UHFFFAOYSA-N
- SCHEMBL13310728
- 2-Oxo-2-phenylethyl 3-methylbenzoate
-
- Inchi： 1S/C16H14O3/c1-12-6-5-9-14(10-12)16(18)19-11-15(17)13-7-3-2-4-8-13/h2-10H,11H2,1H3
- InChI Key： YWTZIPIBXULXBW-UHFFFAOYSA-N
- SMILES： O(C(C1=CC=CC(C)=C1)=O)CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 3-methyl-, 2-oxo-2-phenylethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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