Cas no 26447-25-6 (1-hydroperoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene)
26447-25-6 structure
Product Name:1-hydroperoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CAS No:26447-25-6
MF:C10H18O2
MW:170.248723506927
CID:2838435
PubChem ID:14637314
Update Time:2024-03-02
1-hydroperoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene Chemical and Physical Properties
Names and Identifiers
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- 1-hydroperoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
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- Inchi： 1S/C10H18O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h8-11H,1-7H2
- InChI Key： WOUQTOJLBCLQHO-UHFFFAOYSA-N
- SMILES： O(C1CCCC2CCCCC21)O
Computed Properties
- Exact Mass: 170.130679813g/mol
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 29.5?2
1-hydroperoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene Related Literature
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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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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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