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Molecule
Micro-Green
CAS: 10024-66-5 · C6H8MnO7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10024-66-5
- Molecular Formula
- C6H8MnO7
- Molecular Mass
- 247.06 g/mol
Identifiers
CAS Registry Number
10024-66-5
SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)O.[Mn]
InChI Key
OKOYFIHZDKMHAM-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Mn/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);
Names and Synonyms
- Micro-Green Common Name
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, manganese salt (1:?) Synonym
- Citric acid, manganese salt Synonym
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, manganese salt Synonym
- Manganese citrate Synonym
- Micro-Green Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.06 g/mol | CAS Common Chemistry |
| 247.06099999999998 g/mol | RDKit | |
| 247.061 g/mol | RDKit | |
| 249.077 g/mol | chempirical lib | |
| Canonical SMILES | [Mn].O=C(O)CC(O)(C(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O7.Mn/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=OKOYFIHZDKMHAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Micro-Green | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 132.13 Ų | RDKit |
| LogP | -1.2509999999999994 | RDKit |
| -1.251 | RDKit | |
| Molar Refractivity | 37.09119999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 246.965047696 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 247.06 g/mol. Edit any field — others recompute live.
