Cas no 197788-55-9 (2H-Pyran-2-one, 3-(cyclohexylacetyl)-4-hydroxy-6-methyl-)
197788-55-9 structure
Product Name:2H-Pyran-2-one, 3-(cyclohexylacetyl)-4-hydroxy-6-methyl-
CAS No:197788-55-9
MF:C14H18O4
MW:250.290324687958
CID:1389847
PubChem ID:54709899
Update Time:2025-04-20
2H-Pyran-2-one, 3-(cyclohexylacetyl)-4-hydroxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 3-(cyclohexylacetyl)-4-hydroxy-6-methyl-
- 3-(2-cyclohexylacetyl)-4-hydroxy-6-methylpyran-2-one
- 3-(Cyclohexylacetyl)-4-hydroxy-6-methyl-2H-pyran-2-one
- DTXSID20716131
- 197788-55-9
-
- Inchi： 1S/C14H18O4/c1-9-7-11(15)13(14(17)18-9)12(16)8-10-5-3-2-4-6-10/h7,10,15H,2-6,8H2,1H3
- InChI Key： ZWMMZDYHUQKHDJ-UHFFFAOYSA-N
- SMILES： O=C(C1C(=O)OC(C)=CC=1O)CC1CCCCC1
Computed Properties
- Exact Mass: 250.12054
- Monoisotopic Mass: 250.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 425
- 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: 3.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
2H-Pyran-2-one, 3-(cyclohexylacetyl)-4-hydroxy-6-methyl- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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