Cas no 106154-42-1 (Methyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate)
106154-42-1 structure
Product Name:Methyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate
CAS No:106154-42-1
MF:C9H11NO3
MW:181.188542604446
CID:1180014
PubChem ID:13696662
Update Time:2025-04-20
Methyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate
- 106154-42-1
- Methyl 5-ethyl-1-oxo-1lambda~5~-pyridine-2-carboxylate
- DTXSID90546962
-
- Inchi： 1S/C9H11NO3/c1-3-7-4-5-8(9(11)13-2)10(12)6-7/h4-6H,3H2,1-2H3
- InChI Key： JSDKJZFSVWTSSI-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C(C=[N+]1[O-])CC)=O
Computed Properties
- Exact Mass: 181.07393
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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: 0.8
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 53.24
- LogP: 1.46410
Methyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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