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Molecule
Aluminium Formate
CAS: 7360-53-4 · CH2AlO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7360-53-4
- Molecular Formula
- CH2AlO2
- Molecular Mass
- 73.01 g/mol
Identifiers
CAS Registry Number
7360-53-4
SMILES
O=CO.[Al]
InChI Key
BHUPJYSNSFVFNJ-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Aluminium Formate Synonym
- Formic acid, aluminum salt (3:1) Synonym
- Formic acid, aluminum salt Synonym
- Aluminum formate Synonym
- Aluminum triformate Synonym
- Anti-Sudorifyl Synonym
- Trinoral Synonym
- Altriform Synonym
- Ormicet Synonym
- Aluminum formate (Al(HCOO)3) Synonym
- Polyaluminum formate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.01 g/mol | CAS Common Chemistry |
| 73.007 g/mol | RDKit | |
| 76.031 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_formate | CAS Common Chemistry |
| Canonical SMILES | [Al].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=BHUPJYSNSFVFNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum formate | CAS Common Chemistry |
| Aluminium formate | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.6799999999999999 | RDKit |
| -0.68 | RDKit | |
| Molar Refractivity | 14.4468 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 72.987017934 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 73.01 g/mol. Edit any field — others recompute live.
