Cas no 121877-91-6 ()
structure
Product Name:
CAS No:121877-91-6
MF:C48H96O2
MW:705.274656295776
CID:6773745
PubChem ID:13908837
Update Time:2024-03-04
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C48H96O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48(49)50-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h3-47H2,1-2H3
- InChI Key： UFBOKQWTKSIZPD-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 704.74103230g/mol
- Monoisotopic Mass: 704.74103230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 50
- Rotatable Bond Count: 46
- Complexity: 601
- 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: 23.9
- Topological Polar Surface Area: 26.3?2
Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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