Cas no 263902-74-5 (4H-Pyran-4-one,2-methyl-6-(1-methylethyl)-)
263902-74-5 structure
Product Name:4H-Pyran-4-one,2-methyl-6-(1-methylethyl)-
CAS No:263902-74-5
MF:C9H12O2
MW:152.190382957458
CID:247638
PubChem ID:45095857
Update Time:2025-04-19
4H-Pyran-4-one,2-methyl-6-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 4H-Pyran-4-one,2-methyl-6-(1-methylethyl)-
- 4H-Pyran-4-one,2-methyl-6-(1-methylethyl)-(9CI)
- 263902-74-5
- 2-methyl-6-propan-2-ylpyran-4-one
-
- Inchi： 1S/C9H12O2/c1-6(2)9-5-8(10)4-7(3)11-9/h4-6H,1-3H3
- InChI Key： ZWCPUSUFIVFIAM-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C=C1C(C)C)=O
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 0.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
4H-Pyran-4-one,2-methyl-6-(1-methylethyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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