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59777-95-6

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Basic Information
CAS No.: 59777-95-6
Name: 2-(3-PIRIDYL)THIAZOLIDINE-4-CARBOXYLIC ACID
Article Data: 9
Molecular Structure:
Molecular Structure of 59777-95-6 (2-(3-PIRIDYL)THIAZOLIDINE-4-CARBOXYLIC ACID)
Formula: C9H10N2O2S
Molecular Weight: 210.257
Synonyms: 4-Thiazolidinecarboxylicacid, 2-(3-pyridyl)- (6CI);2-(3-Pyridyl)-4-carboxythiazolidine;2-Pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid;NSC 303514;
Density: 1.366 g/cm3
Boiling Point: 468.2 °C at 760 mmHg
Flash Point: 237 °C
Hazard Symbols: IrritantXi
PSA: 87.52000
LogP: 1.19860
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Specification

The 4-Thiazolidinecarboxylicacid, 2-(3-pyridinyl)- with CAS registry number of 59777-95-6 is also known as 2-(3-Piridyl)thiazolidine-4-carboxylic acid. The IUPAC name is 2-Pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid. In addition, the formula is C9H10N2O2S and the molecular weight is 210.25. What's more, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Thiazolidinecarboxylicacid, 2-(3-pyridinyl)- are: (1)XLogP3-AA: -1.9; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 2; (5)Exact Mass: 210.046298; (6)MonoIsotopic Mass: 210.046298; (7)Topological Polar Surface Area: 87.5; (8)Heavy Atom Count: 14; (9)Complexity: 225; (10)Undefined Atom StereoCenter Count: 2; (11)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(NC(S1)C2=CN=CC=C2)C(=O)O
2. InChI: InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7-8,11H,5H2,(H,12,13)
3. InChIKey: FSNGLHIMQHWTNF-UHFFFAOYSA-N