Cas no 61750-31-0 (Benzoic acid, 3-(5-ethyl-2-hydroxybenzoyl)-)
61750-31-0 structure
Product Name:Benzoic acid, 3-(5-ethyl-2-hydroxybenzoyl)-
CAS No:61750-31-0
MF:C16H14O4
MW:270.279964923859
CID:467508
PubChem ID:21330963
Update Time:2025-04-19
Benzoic acid, 3-(5-ethyl-2-hydroxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(5-ethyl-2-hydroxybenzoyl)-
- 3-(5-ethyl-2-hydroxybenzoyl)benzoic acid
- DTXSID70612558
- 61750-31-0
- SCHEMBL11524880
-
- Inchi： 1S/C16H14O4/c1-2-10-6-7-14(17)13(8-10)15(18)11-4-3-5-12(9-11)16(19)20/h3-9,17H,2H2,1H3,(H,19,20)
- InChI Key： PRRXFZNRIBFWRO-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C(C1C=CC=C(C(=O)O)C=1)=O)CC
Computed Properties
- Exact Mass: 270.08922
- Monoisotopic Mass: 270.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 366
- 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: 3.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Benzoic acid, 3-(5-ethyl-2-hydroxybenzoyl)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
61750-31-0 (Benzoic acid, 3-(5-ethyl-2-hydroxybenzoyl)-) Related Products
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