Cas no 233587-35-4 (Phenol, 2(or4)-sec-docosyl-)
Phenol, 2(or4)-sec-docosyl- structure
Product Name:Phenol, 2(or4)-sec-docosyl-
CAS No:233587-35-4
MF:C28H50O
MW:402.696009159088
CID:282833
PubChem ID:73555345
Update Time:2025-04-19
Phenol, 2(or4)-sec-docosyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2(or4)-sec-docosyl-
- DTXSID10946026
- 233587-35-4
- 4-(DOCOSAN-2-YL)PHENOL
- Phenol, 2(or 4)-sec-docosyl-
-
- Inchi： 1S/C28H50O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(2)27-22-24-28(29)25-23-27/h22-26,29H,3-21H2,1-2H3
- InChI Key： GQNCKPHQJKXIBF-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)CCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 402.386166214g/mol
- Monoisotopic Mass: 402.386166214g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 20
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.8
- Topological Polar Surface Area: 20.2?2
Phenol, 2(or4)-sec-docosyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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