Cas no 76089-31-1 (1-(2-Oxo-propoxy)-propan-2-one)
76089-31-1 structure
Product Name:1-(2-Oxo-propoxy)-propan-2-one
CAS No:76089-31-1
MF:C6H10O3
MW:130.141802310944
CID:560922
Update Time:2023-08-02
1-(2-Oxo-propoxy)-propan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone,1,1'-oxybis-
- 2-Propanone, 1,1-oxybis- (9CI)
- 1,1'-oxydi(propan-2-one)
- 1,1'-oxybis(propan-2-one)
- 1-(2-OXO-PROPOXY)-PROPAN-2-ONE
- 1-(2-Oxo-propoxy)-propan-2-one
-
- Inchi： 1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h3-4H2,1-2H3
- InChI Key： ICOZHMGZBBNHMH-UHFFFAOYSA-N
- SMILES： O(CC(C)=O)CC(C)=O
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 104
- 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
- Topological Polar Surface Area: 43.4
1-(2-Oxo-propoxy)-propan-2-one Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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