Cas no 53939-79-0 (Propanoic acid, 2-oxo-, hexyl ester)
53939-79-0 structure
Product Name:Propanoic acid, 2-oxo-, hexyl ester
CAS No:53939-79-0
MF:C9H16O3
MW:172.221543312073
CID:356023
PubChem ID:523898
Update Time:2025-04-19
Propanoic acid, 2-oxo-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-oxo-, hexyl ester
- hexyl 2-oxopropanoate
- DTXSID80335221
- Hexyl pyruvate
- n-hexanol pyruvate
- HMSXMTIZDANRFV-UHFFFAOYSA-N
- SCHEMBL3018392
- 53939-79-0
-
- Inchi： 1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h3-7H2,1-2H3
- InChI Key： HMSXMTIZDANRFV-UHFFFAOYSA-N
- SMILES： O(C(C(C)=O)=O)CCCCCC
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
Propanoic acid, 2-oxo-, hexyl ester Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
53939-79-0 (Propanoic acid, 2-oxo-, hexyl ester) Related Products
- 20279-44-1(Butyl 2-oxopropanoate)
- 5753-96-8(Ethyl 2-oxohexanoate)
- 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)
- 36983-31-0(2,4-Dioxoheptanoic Acid Ethyl Ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
Recommended suppliers
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
