Cas no 10153-83-0 (Pentanoic acid,2,4-dioxo-, butyl ester)
10153-83-0 structure
Product Name:Pentanoic acid,2,4-dioxo-, butyl ester
Pentanoic acid,2,4-dioxo-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2,4-dioxo-, butyl ester
- butyl 2,4-dioxopentanoate
- butyl 2,4-dioxovalerate
- Einecs 233-423-6
- 2,4-Dioxovaleric acid butyl ester
- 94443GXS2V
- UNII-94443GXS2V
- VALERIC ACID, 2,4-DIOXO-, BUTYL ESTER
- 10153-83-0
- DTXSID40143985
- butyl 2,4-dioxo-pentanoate
- Pentanoic acid, 2,4-dioxo-, butyl ester
- NS00023065
-
- Inchi： 1S/C9H14O4/c1-3-4-5-13-9(12)8(11)6-7(2)10/h3-6H2,1-2H3
- InChI Key： FOMYYQMPVKGWON-UHFFFAOYSA-N
- SMILES： O(C(C(CC(C)=O)=O)=O)CCCC
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 208
- 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
- Topological Polar Surface Area: 60.4A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.065
- Boiling Point: 252.4°Cat760mmHg
- Flash Point: 104.6°C
- Refractive Index: 1.434
- PSA: 60.44
Pentanoic acid,2,4-dioxo-, butyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
10153-83-0 (Pentanoic acid,2,4-dioxo-, butyl ester) Related Products
- 108-56-5(Diethyl 2-oxobutanedioate)
- 5753-96-8(Ethyl 2-oxohexanoate)
- 20577-61-1(Methyl 2,4-dioxopentanoate)
- 13088-50-1(Ethyl 2-oxoheptanoate)
- 15933-07-0(Ethyl 2-oxobutanoate)
- 13192-04-6(Dimethyl 2-Ketoglutaconate)
- 13246-52-1(Ethyl 2,4-dioxohexanoate)
- 50461-74-0(Ethyl 2-Oxopentanoate)
- 615-79-2(ethyl 2,4-dioxopentanoate)
- 5965-53-7(Diethyl 2-oxopentanedioate)
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