Cas no 78823-57-1 (1(2H)-Pyridinehexanoic acid, 2-oxo-)
78823-57-1 structure
Product Name:1(2H)-Pyridinehexanoic acid, 2-oxo-
CAS No:78823-57-1
MF:C11H15NO3
MW:209.241703271866
CID:533825
PubChem ID:64298382
Update Time:2025-04-19
1(2H)-Pyridinehexanoic acid, 2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Pyridinehexanoic acid, 2-oxo-
- 6-(2-oxopyridin-1-yl)hexanoic acid
- DTXSID80734755
- 6-(2-Oxopyridin-1(2H)-yl)hexanoic acid
- 78823-57-1
- AKOS013620304
-
- Inchi： 1S/C11H15NO3/c13-10-6-3-5-9-12(10)8-4-1-2-7-11(14)15/h3,5-6,9H,1-2,4,7-8H2,(H,14,15)
- InChI Key： YHWNRDATJQWPTN-UHFFFAOYSA-N
- SMILES： O=C1C=CC=CN1CCCCCC(=O)O
Computed Properties
- Exact Mass: 209.10519334g/mol
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 294
- 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: 1
- Topological Polar Surface Area: 57.6?2
1(2H)-Pyridinehexanoic acid, 2-oxo- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
78823-57-1 (1(2H)-Pyridinehexanoic acid, 2-oxo-) Related Products
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