Cas no 40959-70-4 (Nonyl 3-oxobutanoate)
Nonyl 3-oxobutanoate structure
Product Name:Nonyl 3-oxobutanoate
CAS No:40959-70-4
MF:C13H24O3
MW:228.327864646912
CID:2634225
PubChem ID:4986951
Update Time:2025-04-21
Nonyl 3-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- nonyl 3-oxobutanoate
- DTXSID70407269
- 40959-70-4
- DTXCID70358121
- AKOS024390797
- SCHEMBL10900752
- Nonyl 3-oxobutanoate
-
- Inchi： 1S/C13H24O3/c1-3-4-5-6-7-8-9-10-16-13(15)11-12(2)14/h3-11H2,1-2H3
- InChI Key： OXMOJULFKLVWDY-UHFFFAOYSA-N
- SMILES： O(C(CC(C)=O)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 228.17254462Da
- Monoisotopic Mass: 228.17254462Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 199
- 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: 3.8
- Topological Polar Surface Area: 43.4?2
Nonyl 3-oxobutanoate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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