Cas no 61574-63-8 (Pentanoic acid, 2-oxo-, butyl ester)
61574-63-8 structure
Product Name:Pentanoic acid, 2-oxo-, butyl ester
CAS No:61574-63-8
MF:C9H16O3
MW:172.221543312073
CID:474311
PubChem ID:10888378
Update Time:2025-04-19
Pentanoic acid, 2-oxo-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-oxo-, butyl ester
- butyl 2-oxopentanoate
- DTXSID80447176
- SCHEMBL2822696
- FRGXKIHOIBVDQC-UHFFFAOYSA-N
- 61574-63-8
-
- Inchi： 1S/C9H16O3/c1-3-5-7-12-9(11)8(10)6-4-2/h3-7H2,1-2H3
- InChI Key： FRGXKIHOIBVDQC-UHFFFAOYSA-N
- SMILES： O(C(C(CCC)=O)=O)CCCC
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 152
- 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: 2.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pentanoic acid, 2-oxo-, butyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
61574-63-8 (Pentanoic acid, 2-oxo-, butyl ester) Related Products
- 108-56-5(Diethyl 2-oxobutanedioate)
- 5753-96-8(Ethyl 2-oxohexanoate)
- 20577-61-1(Methyl 2,4-dioxopentanoate)
- 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)
- 3952-66-7(Methyl 2-oxobutanoate)
- 5965-53-7(Diethyl 2-oxopentanedioate)
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