Cas no 138042-14-5 (3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(2-propenyl)-, methylester)
138042-14-5 structure
Product Name:3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(2-propenyl)-, methylester
CAS No:138042-14-5
MF:C10H11NO3
MW:193.199242830276
CID:1249448
PubChem ID:71726949
Update Time:2025-04-20
3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(2-propenyl)-, methylester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(2-propenyl)-, methylester
- 138042-14-5
- methyl 1-allyl-6-oxo-1,6-dihydropyridine-3-carboxylate
- DB-416766
- methyl 6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyridine-3-carboxylate
- SCHEMBL16672350
- AKOS040819119
-
- Inchi： 1S/C10H11NO3/c1-3-6-11-7-8(10(13)14-2)4-5-9(11)12/h3-5,7H,1,6H2,2H3
- InChI Key： ATDAYUCVTVCDSC-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(N(C=1)CC=C)=O)=O
Computed Properties
- Exact Mass: 367.14203
- Monoisotopic Mass: 193.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 328
- 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: 0.6
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 76.07
3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(2-propenyl)-, methylester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
138042-14-5 (3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(2-propenyl)-, methylester) Related Products
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