Cas no 61561-56-6 (Benzeneacetic acid, 2-(4-ethylbenzoyl)-)
61561-56-6 structure
Product Name:Benzeneacetic acid, 2-(4-ethylbenzoyl)-
CAS No:61561-56-6
MF:C17H16O3
MW:268.307145118713
CID:474805
PubChem ID:15621217
Update Time:2025-04-19
Benzeneacetic acid, 2-(4-ethylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-(4-ethylbenzoyl)-
- 2-[2-(4-ethylbenzoyl)phenyl]acetic acid
- DTXSID20575922
- 61561-56-6
- [2-(4-Ethylbenzoyl)phenyl]acetic acid
- SCHEMBL8267499
-
- Inchi： 1S/C17H16O3/c1-2-12-7-9-13(10-8-12)17(20)15-6-4-3-5-14(15)11-16(18)19/h3-10H,2,11H2,1H3,(H,18,19)
- InChI Key： STEUYNAHKXTTBS-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)CC)C1C=CC=CC=1CC(=O)O
Computed Properties
- Exact Mass: 268.10998
- Monoisotopic Mass: 268.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 342
- 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: 54.4?2
Experimental Properties
- PSA: 54.37
Benzeneacetic acid, 2-(4-ethylbenzoyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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