Cas no 36983-28-5 (Pentanoic acid,2,4-dioxo-, 1-methylethyl ester)
36983-28-5 structure
Product Name:Pentanoic acid,2,4-dioxo-, 1-methylethyl ester
CAS No:36983-28-5
MF:C8H12O4
MW:172.178483009338
CID:314199
PubChem ID:3006749
Update Time:2025-04-19
Pentanoic acid,2,4-dioxo-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2,4-dioxo-, 1-methylethyl ester
- propan-2-yl 2,4-dioxopentanoate
- 1-methylethyl 2,4-dioxopentanoate
- Isopropyl 2,4-dioxovalerate
- DTXSID20190472
- EINECS 253-296-0
- 36983-28-5
- NS00030135
-
- Inchi： 1S/C8H12O4/c1-5(2)12-8(11)7(10)4-6(3)9/h5H,4H2,1-3H3
- InChI Key： MTWDPRMKRJQPIO-UHFFFAOYSA-N
- SMILES： O(C(C(CC(C)=O)=O)=O)C(C)C
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 0.7
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Pentanoic acid,2,4-dioxo-, 1-methylethyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
36983-28-5 (Pentanoic acid,2,4-dioxo-, 1-methylethyl 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)
- 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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