Cas no 186755-57-7 (Decanoic acid, 2-acetyl-3-oxo-, methyl ester)
186755-57-7 structure
Product Name:Decanoic acid, 2-acetyl-3-oxo-, methyl ester
CAS No:186755-57-7
MF:C13H22O4
MW:242.311384677887
CID:1378866
PubChem ID:58584052
Update Time:2025-04-20
Decanoic acid, 2-acetyl-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 2-acetyl-3-oxo-, methyl ester
- methyl 2-acetyl-3-oxodecanoate
- DTXSID20729428
- 186755-57-7
- SCHEMBL14065144
-
- Inchi： 1S/C13H22O4/c1-4-5-6-7-8-9-11(15)12(10(2)14)13(16)17-3/h12H,4-9H2,1-3H3
- InChI Key： XQNMVPONWAMETD-UHFFFAOYSA-N
- SMILES： O=C(C(C(=O)OC)C(C)=O)CCCCCCC
Computed Properties
- Exact Mass: 242.15186
- Monoisotopic Mass: 242.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 271
- 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: 2.9
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Decanoic acid, 2-acetyl-3-oxo-, methyl ester Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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2. 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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
186755-57-7 (Decanoic acid, 2-acetyl-3-oxo-, methyl ester) Related Products
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- 14035-96-2(Dimethyl 2-propylmalonate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
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- 695-95-4(Methyl 3-oxocyclobutane-1-carboxylate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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