Cas no 89567-32-8 (Oxacyclotridecane-2,9-dione, 13-methyl-)
89567-32-8 structure
Product Name:Oxacyclotridecane-2,9-dione, 13-methyl-
CAS No:89567-32-8
MF:C13H22O3
MW:226.311984539032
CID:596250
PubChem ID:70510817
Update Time:2025-04-19
Oxacyclotridecane-2,9-dione, 13-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxacyclotridecane-2,9-dione, 13-methyl-
- 13-methyl-oxacyclotridecane-2,9-dione
- SCHEMBL11094267
- 13-METHYL-1-OXACYCLOTRIDECANE-2,9-DIONE
- DTXSID70742208
- 89567-32-8
-
- Inchi： 1S/C13H22O3/c1-11-7-6-9-12(14)8-4-2-3-5-10-13(15)16-11/h11H,2-10H2,1H3
- InChI Key： NWXURPPRRDIPIN-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCC(CCCC1C)=O)=O
Computed Properties
- Exact Mass: 226.15689456g/mol
- Monoisotopic Mass: 226.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 235
- 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: 2.4
- Topological Polar Surface Area: 43.4?2
Oxacyclotridecane-2,9-dione, 13-methyl- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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3. 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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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