Cas no 27424-82-4 (2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxohexyl)-)
27424-82-4 structure
Product Name:2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxohexyl)-
CAS No:27424-82-4
MF:C12H16O4
MW:224.253044128418
CID:277231
PubChem ID:54721834
Update Time:2025-04-19
2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxohexyl)-
- 3-hexanoyl-4-hydroxy-6-methylpyran-2-one
- 3-Esanoil-4-idrossi-6-metil-2H-piran-2-one
- 3-Hexanoyl-4-hydroxy-6-methyl-2H-pyran-2-one
- CHEMBL7630
- 3-Esanoil-4-idrossi-6-metil-2H-piran-2-one [Italian]
- SCHEMBL10337601
- 27424-82-4
- DTXSID40181842
- BRN 1285295
- 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(1-oxohexyl)-
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- Inchi： 1S/C12H16O4/c1-3-4-5-6-9(13)11-10(14)7-8(2)16-12(11)15/h7,14H,3-6H2,1-2H3
- InChI Key： ADCLDRLWUWHAKC-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(=C(C1=O)C(CCCCC)=O)O
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 363
- 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: 2.9
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
2H-Pyran-2-one,4-hydroxy-6-methyl-3-(1-oxohexyl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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