Cas no 939411-29-7 (1-Neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid)
939411-29-7 structure
Product Name:1-Neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CAS No:939411-29-7
MF:C11H15NO3
MW:209.241703271866
CID:2119917
Update Time:2023-08-03
1-Neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-(2,2-dimethylpropyl)-1,6-dihydro-6-oxo-3-Pyridinecarboxylic acid
- 1-neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- 1-(2,2-dimethylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- 1-Neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
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- Inchi： 1S/C11H15NO3/c1-11(2,3)7-12-6-8(10(14)15)4-5-9(12)13/h4-6H,7H2,1-3H3,(H,14,15)
- InChI Key： HEUDFBWBQZZTTJ-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C(=O)O)=CN1CC(C)(C)C
Computed Properties
- Exact Mass: 209.105
- Monoisotopic Mass: 209.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 347
- 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: 57.6
1-Neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
939411-29-7 (1-Neopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid) Related Products
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