Cas no 761368-97-2 (3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro-)
761368-97-2 structure
Product Name:3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro-
CAS No:761368-97-2
MF:C8H13NO2
MW:155.194322347641
CID:550066
PubChem ID:15696615
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro-
- 3-Pyridinecarboxylicacid,6-ethyl-1,2,5,6-tetrahydro-(9CI)
- 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
- CHEMBL316017
- 6-Ethyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid
- DTXSID80576990
- 761368-97-2
-
- Inchi: 1S/C8H13NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3,7,9H,2,4-5H2,1H3,(H,10,11)
- InChI Key: ZXMUMSYZIIOMLH-UHFFFAOYSA-N
- SMILES: OC(C1=CCC(CC)NC1)=O
Computed Properties
- Exact Mass: 155.09469
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.6
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
3-Pyridinecarboxylicacid, 6-ethyl-1,2,5,6-tetrahydro- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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