Cas no 117090-85-4 (Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester)
117090-85-4 structure
Product Name:Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester
CAS No:117090-85-4
MF:C9H16O3
MW:172.221543312073
CID:1210531
PubChem ID:14203251
Update Time:2025-04-20
Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester
- ethyl 2-ethyl-3-oxopentanoate
- SCHEMBL3142804
- 2-ethyl-3-oxo-pentanoic acid ethyl ester
- 117090-85-4
- AKOS010952319
- DA-34305
- MJPUHPKVTAZJOZ-UHFFFAOYSA-N
- DTXSID00557347
-
- Inchi： 1S/C9H16O3/c1-4-7(8(10)5-2)9(11)12-6-3/h7H,4-6H2,1-3H3
- InChI Key： MJPUHPKVTAZJOZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(CC)=O)CC)=O
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: 6
- Complexity: 163
- 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: 1.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
117090-85-4 (Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 2163-48-6(Diethyl propylmalonate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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