Cas no 3038-89-9 (2-Pyridinecarboxylicacid, 2,3,4,5-tetrahydro-)
3038-89-9 structure
Product Name:2-Pyridinecarboxylicacid, 2,3,4,5-tetrahydro-
2-Pyridinecarboxylicacid, 2,3,4,5-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 2,3,4,5-tetrahydro-
- 2,3,4,5-Tetrahydropyridine-2-carboxylic acid
- CHEBI:49015
- Delta(1)-piperidine-6-carboxylic acid
- 2,3,4,5-tetrahydro-2-pyridinecarboxylic acid
- delta-1-Piperidine-6-carboxylic acid
- AKOS006376673
- A937059
- Q27104644
- 3038-89-9
- DTXSID50952722
- delta-1-Piperideine-6-carboxylate
- 2-Pyridinecarboxylic acid, 2,3,4,5-tetrahydro-
- 1-piperideine-6-carboxylic acid
- SCHEMBL574892
- 2,3,4,5-tetrahydropyridine-2-carb-oxylic acid
-
- Inchi： 1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)
- InChI Key： CSDPVAKVEWETFG-UHFFFAOYSA-N
- SMILES： OC(C1CCCC=N1)=O
Computed Properties
- Exact Mass: 126.05554
- Monoisotopic Mass: 127.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 142
- 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: -0.1
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 52.49
2-Pyridinecarboxylicacid, 2,3,4,5-tetrahydro- Related Literature
-
Yu Wang,Chi-Tang Ho Chem. Soc. Rev. 2012 41 4140
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