Cas no 28488-47-3 (Benzoic acid,5-hexyl-2-hydroxy-)
28488-47-3 structure
Product Name:Benzoic acid,5-hexyl-2-hydroxy-
CAS No:28488-47-3
MF:C13H18O3
MW:222.280224323273
CID:289298
PubChem ID:13825418
Update Time:2025-04-19
Benzoic acid,5-hexyl-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,5-hexyl-2-hydroxy-
- 5-hexyl-2-hydroxybenzoic acid
- 5-Hexylsalicylic acid
- Salicylicacid, 5-hexyl- (7CI,8CI)
- Benzoic acid, 5-hexyl-2-hydroxy-
- DTXSID50951174
- 28488-47-3
- 5-n-hexylsalicylic acid acid
- SCHEMBL2529442
-
- Inchi： 1S/C13H18O3/c1-2-3-4-5-6-10-7-8-12(14)11(9-10)13(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)
- InChI Key： VUGCFIPCDOEBTO-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C(=O)O)CCCCCC
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 215
- 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: 5.4
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzoic acid,5-hexyl-2-hydroxy- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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