Cas no 59204-69-2 (Benzoic acid, 2-hydroxy-6-tetradecyl-)
59204-69-2 structure
Product Name:Benzoic acid, 2-hydroxy-6-tetradecyl-
CAS No:59204-69-2
MF:C21H34O3
MW:334.49286699295
CID:339492
PubChem ID:5318118
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-6-tetradecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-6-tetradecyl-
- 2-hydroxy-6-tetradecylbenzoic acid
- 59204-69-2
- Q63392682
- 6-Tetradecylsalicylic acid
- DTXSID40415735
-
- Inchi： 1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(22)20(18)21(23)24/h14,16-17,22H,2-13,15H2,1H3,(H,23,24)
- InChI Key： DNTSXRMSSGNLFL-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1C(=O)O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 334.25092
- Monoisotopic Mass: 334.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 316
- 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: 8.9
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzoic acid, 2-hydroxy-6-tetradecyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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