Cas no 823-23-4 (3,6-Dihydro-6-methyl-2H-pyran-2-one)
823-23-4 structure
Product Name:3,6-Dihydro-6-methyl-2H-pyran-2-one
3,6-Dihydro-6-methyl-2H-pyran-2-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID801295034
- 3,6-Dihydro-6-methyl-2H-pyran-2-one
- SCHEMBL10579203
- 823-23-4
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- Inchi： 1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2-3,5H,4H2,1H3
- InChI Key： PDMMTNYAGBLROC-UHFFFAOYSA-N
- SMILES： O1C(CC=CC1C)=O
Computed Properties
- Exact Mass: 112.052429494g/mol
- Monoisotopic Mass: 112.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 127
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 26.3?2
3,6-Dihydro-6-methyl-2H-pyran-2-one Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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