Cas no 102074-61-3 (2-Pyridinemethanol,4-methyl-,1-oxide(6CI))
102074-61-3 structure
Product Name:2-Pyridinemethanol,4-methyl-,1-oxide(6CI)
CAS No:102074-61-3
MF:C7H9NO2
MW:139.151861906052
CID:124900
PubChem ID:19041046
Update Time:2024-02-29
2-Pyridinemethanol,4-methyl-,1-oxide(6CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Pyridinemethanol,4-methyl-, 1-oxide
- 2-Pyridinemethanol,4-methyl-,1-oxide(6CI)
- 2-Pyridinemethanol, 4-methyl-, 1-oxide
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- Inchi： 1S/C7H9NO2/c1-6-2-3-8(10)7(4-6)5-9/h2-4,9H,5H2,1H3
- InChI Key： VHLKFEIROIPPCC-UHFFFAOYSA-N
- SMILES： C1(CO)[N+]([O-])=CC=C(C)C=1
Computed Properties
- Exact Mass: 139.063328530g/mol
- Monoisotopic Mass: 139.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- 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: -0.1
- Topological Polar Surface Area: 45.7?2
2-Pyridinemethanol,4-methyl-,1-oxide(6CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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