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Chromium(Iii) Picolinate
CAS: 14639-25-9 | C18H12CrN3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14639-25-9
Molecular Formula:
C18H12CrN3O6
Molecular Mass:
418.31 g/mol
Names and Synonyms:
Chromium(Iii) Picolinate
Chromium, tris(2-pyridinecarboxylato-κN1,κO2)-
Chromium, tris(picolinato)-
Chromium, tris(2-pyridinecarboxylato-N1,O2)-
2-Pyridinecarboxylic acid, chromium complex
Chromium(III) trispicolinate
Chromax
Chromium(III) picolinate
Chromium picolinate
Tris(picolinato)chromium
2-Pyridinecarboxylic acid, chromium(3+) salt
Chromium(3+) 2-pyridinecarboxylate
2-Pyridinecarboxylic acid, chromium(3+) salt (3:1)
CP 200
Identifiers:
SMILES:
O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Cr+3]
InChI:
InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 418.31 g/mol | CAS Common Chemistry |
| 418.30500000000006 g/mol | RDKit | |
| 418.013117604 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromium(III)_picolinate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Cr+3]23([O-]C(=O)C=4C=CC=C[N]42)([O-]C(=O)C=5C=CC=C[N]53)[N]=6C=CC=CC16 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=CBDQOLKNTOMMTL-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Chromium(III) picolinate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 159.06 Ų | RDKit |
| LogP | -1.6671999999999982 | RDKit |
| Molar Refractivity | 85.70250000000001 | RDKit |
