Cas no 224778-65-8 (2(1H)-Pyridinone,6-hydroxy-4-methyl-1-(1-methylethyl)-(9CI))
224778-65-8 structure
Product Name:2(1H)-Pyridinone,6-hydroxy-4-methyl-1-(1-methylethyl)-(9CI)
CAS No:224778-65-8
MF:C9H13NO2
MW:167.205022573471
CID:244721
Update Time:2023-03-30
2(1H)-Pyridinone,6-hydroxy-4-methyl-1-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Pyridinone,6-hydroxy-4-methyl-1-(1-methylethyl)-
- 2(1H)-Pyridinone,6-hydroxy-4-methyl-1-(1-methylethyl)-(9CI)
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- Inchi： 1S/C9H13NO2/c1-6(2)10-8(11)4-7(3)5-9(10)12/h4-6,11H,1-3H3
- InChI Key： RBQYBQHTZMAHHD-UHFFFAOYSA-N
- SMILES： C1(=O)N(C(C)C)C(O)=CC(C)=C1
Computed Properties
- Exact Mass: 167.095
- Monoisotopic Mass: 167.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 264
- 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
- Topological Polar Surface Area: 40.5A^2
2(1H)-Pyridinone,6-hydroxy-4-methyl-1-(1-methylethyl)-(9CI) Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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