Cas no 22791-77-1 (2H-Pyran-2-one,tetrahydro-3-propyl-)
22791-77-1 structure
Product Name:2H-Pyran-2-one,tetrahydro-3-propyl-
2H-Pyran-2-one,tetrahydro-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one,tetrahydro-3-propyl-
- 3-propyloxan-2-one
- 3-propyltetrahydro-2H-pyran-2-one
- Tetrahydro-3-propyl-2H-pyran-2-one
- AKOS006276603
- EINECS 245-223-6
- -Valprolactone
- propyl-5-pentanolide
- NS00053382
- CHEBI:180296
- DTXSID70945474
- 22791-77-1
- SCHEMBL577073
- xi-Tetrahydro-3-propyl-2H-pyran-2-one
-
- Inchi： 1S/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h7H,2-6H2,1H3
- InChI Key： LANLMKRVDNOZFB-UHFFFAOYSA-N
- SMILES： O1CCCC(C1=O)CCC
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 120
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 2
Experimental Properties
- Density: 0.96
- Boiling Point: 239.8°Cat760mmHg
- Flash Point: 92.2°C
- Refractive Index: 1.436
- PSA: 26.3
2H-Pyran-2-one,tetrahydro-3-propyl- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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