Cas no 121877-30-3 ()
structure
Product Name:
CAS No:121877-30-3
MF:C37H74O2
MW:550.982272624969
CID:6646505
PubChem ID:134823879
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C37H74O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-39-37(38)34-31-28-25-22-21-24-27-30-33-36(3)5-2/h36H,4-35H2,1-3H3
- InChI Key： UQPSTHHWDLDBFA-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC(C)CC)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 550.56888160g/mol
- Monoisotopic Mass: 550.56888160g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 39
- Rotatable Bond Count: 34
- Complexity: 460
- 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: 17.6
- Topological Polar Surface Area: 26.3?2
Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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