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14049-88-8

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Basic Information
CAS No.: 14049-88-8
Name: Manganese picolinate
Molecular Structure:
Molecular Structure of 14049-88-8 (Manganese picolinate)
Formula: C12H8MnN2O4
Molecular Weight: 299.14
Synonyms: Manganese,bis(2-pyridinecarboxylato-N1,O2)-;Manganese, bis(picolinato)- (7CI,8CI);2-Pyridinecarboxylic acid, manganese complex;2-Pyridinecarboxylic acid,manganese(2+) salt;
Boiling Point: 292.5 °C at 760 mmHg
Flash Point: 130.7 °C
PSA: 106.04000
LogP: -1.10980
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Specification

The cas register number of Manganese picolinate is 14049-88-8. It also can be called as 2-pyridinecarboxylic acid, manganese(2+) salt (2:1) and the Systematic name about this chemical is manganese(2+) dipyridine-2-carboxylate.

Physical properties about Manganese picolinate are: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19Å2; (13)Flash Point: 130.7 °C; (14)Enthalpy of Vaporization: 56.18 kJ/mol; (15)Boiling Point: 292.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000836 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: [Mn+2].[O-]C(=O)c1ncccc1.[O-]C(=O)c1ncccc1
2.InChI: InChI=1/2C6H5NO2.Mn/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2 
3.InChIKey: WVCYGKVYIWFMCH-NUQVWONBAR
4.Std. InChI: InChI=1S/2C6H5NO2.Mn/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2.