Cas no 1540-24-5 (3-Penten-2-one,4-ethoxy-)
3-Penten-2-one,4-ethoxy- structure
Product Name:3-Penten-2-one,4-ethoxy-
3-Penten-2-one,4-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Penten-2-one,4-ethoxy-
- 4-Ethoxypent-3-en-2-one
- Einecs 216-268-9
- 4-Ethoxy-3-penten-2-one
- (Z)-4-Ethoxypent-3-en-2-one
- 1540-24-5
- 2-ethoxy-2-penten-4-one
- DTXSID20934893
- SCHEMBL11818474
- NS00048347
-
- Inchi： 1S/C7H12O2/c1-4-9-7(3)5-6(2)8/h5H,4H2,1-3H3
- InChI Key： QYEVFNRONKBUNY-UHFFFAOYSA-N
- SMILES： O(CC)C(C)=CC(C)=O
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Penten-2-one,4-ethoxy- Related Literature
-
1. Regiospecific syntheses of glycocitrine-II and acronycineRamesh C. Anand,Arun K. Sinha J. Chem. Soc. Perkin Trans. 1 1991 2339
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