Cas no 10402-70-7 (4-oxopentanoate)
4-oxopentanoate structure
Product Name:4-oxopentanoate
CAS No:10402-70-7
MF:C5H7O3
MW:115.107281923294
CID:5561077
PubChem ID:5177120
Update Time:2024-03-01
4-oxopentanoate Chemical and Physical Properties
Names and Identifiers
-
- 4-oxopentanoate
- levulininate
-
- Inchi： 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)/p-1
- InChI Key： JOOXCMJARBKPKM-UHFFFAOYSA-M
- SMILES： C([O-])(=O)CCC(=O)C
Computed Properties
- Exact Mass: 115.039519081g/mol
- Monoisotopic Mass: 115.039519081g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 101
- 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: 0.2
- Topological Polar Surface Area: 57.2?2
4-oxopentanoate Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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