Cas no 62123-50-6 (Hexanoic acid, 2-oxo-, propyl ester)
62123-50-6 structure
Product Name:Hexanoic acid, 2-oxo-, propyl ester
CAS No:62123-50-6
MF:C9H16O3
MW:172.221543312073
CID:457233
PubChem ID:12252857
Update Time:2025-04-19
Hexanoic acid, 2-oxo-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-oxo-, propyl ester
- propyl 2-oxohexanoate
- SCHEMBL3006961
- DTXSID90482533
- 62123-50-6
- 2-oxo-hexanoic acid propyl ester
-
- Inchi： 1S/C9H16O3/c1-3-5-6-8(10)9(11)12-7-4-2/h3-7H2,1-2H3
- InChI Key： WVZCLGDHXINTSV-UHFFFAOYSA-N
- SMILES： O(C(C(CCCC)=O)=O)CCC
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: 2.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Hexanoic acid, 2-oxo-, propyl ester Related Literature
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
62123-50-6 (Hexanoic acid, 2-oxo-, propyl 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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