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3-Pyridinecarboxylicacid, chromium(3+) salt (3:1) (64452-96-6)

Identification
Name:3-Pyridinecarboxylicacid, chromium(3+) salt (3:1)
Synonyms:3-Pyridinecarboxylicacid, chromium(3+) salt (9CI);ChromaTech;Chromium nicotinate;Chromiumpolynicotinate;Chromium(3+) 3-pyridinecarboxylate;Chromium(III) nicotinate;
CAS:64452-96-6
Molecular Formula: C18H12CrN3O6
Molecular Weight: 418.3
InChI: InChI=1/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
Molecular Structure: (C18H12CrN3O6) 3-Pyridinecarboxylicacid, chromium(3+) salt (9CI);ChromaTech;Chromium nicotinate;Chromiumpolynicotin...
Properties
Specification:

The Chromium nicotinate, with CAS registry number 64452-96-6, has the systematic name of chromium(3+) tripyridine-3-carboxylate. Besides this, it is also called 3-pyridinecarboxylic acid, chromium(3+) salt (3:1). And the chemical formula of this chemical is C18H12CrN3O6.

Physical properties of Chromium nicotinate: (1)ACD/LogP: 0.15; (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: 50.19 Å2; (13)Enthalpy of Vaporization: 56.18 kJ/mol; (14)Vapour Pressure: 0.000836 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cr+3].[O-]C(=O)c1cccnc1.[O-]C(=O)c1cccnc1.[O-]C(=O)c1cccnc1
(2)InChI: InChI=1/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
(3)InChIKey: MSPQQAUTCRWLGR-DFZHHIFOAY
(4)Std. InChI: InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
(5)Std. InChIKey: MSPQQAUTCRWLGR-UHFFFAOYSA-K

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