Cas no 13122-52-6 (2-Pentanone, 4-methoxy-)
2-Pentanone, 4-methoxy- structure
Product Name:2-Pentanone, 4-methoxy-
CAS No:13122-52-6
MF:C6H12O2
MW:116.158282279968
CID:119310
PubChem ID:12723433
Update Time:2025-04-18
2-Pentanone, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 4-methoxy-
- 2-Pentanone, 4-methoxy- (9CI)
- 4-methoxypentan-2-one
- DTXSID00508117
- AKOS013569619
- J-200112
- 13122-52-6
- SCHEMBL2742444
-
- Inchi： 1S/C6H12O2/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3
- InChI Key： BNEZGZQZWFYHTI-UHFFFAOYSA-N
- SMILES： O(C)C(C)CC(C)=O
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 78.6
- 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: 0.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Pentanone, 4-methoxy- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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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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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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