Cas no 61561-55-5 (Benzeneacetic acid, 2-(4-methylbenzoyl)-)
61561-55-5 structure
Product Name:Benzeneacetic acid, 2-(4-methylbenzoyl)-
CAS No:61561-55-5
MF:C16H14O3
MW:254.280564785004
CID:474806
PubChem ID:15621216
Update Time:2025-04-19
Benzeneacetic acid, 2-(4-methylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-(4-methylbenzoyl)-
- 2-[2-(4-methylbenzoyl)phenyl]acetic acid
- DTXSID60575921
- [2-(4-Methylbenzoyl)phenyl]acetic acid
- 61561-55-5
-
- Inchi： 1S/C16H14O3/c1-11-6-8-12(9-7-11)16(19)14-5-3-2-4-13(14)10-15(17)18/h2-9H,10H2,1H3,(H,17,18)
- InChI Key： BHQMVAYTVNPBFD-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)C1C=CC=CC=1CC(=O)O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 3.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Benzeneacetic acid, 2-(4-methylbenzoyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
61561-55-5 (Benzeneacetic acid, 2-(4-methylbenzoyl)-) Related Products
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