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Aluminium Formate
CAS: 7360-53-4 | CH2AlO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7360-53-4
Molecular Formula:
CH2AlO2
Molecular Weight:
73.007 g/mol
Names and Synonyms:
Aluminium Formate
Formic acid, aluminum salt (3:1)
Formic acid, aluminum salt
Aluminum formate
Aluminum triformate
Anti-Sudorifyl
Trinoral
Altriform
Ormicet
Aluminum formate (Al(HCOO)3)
Polyaluminum formate
Identifiers:
SMILES:
O=CO.[Al]
InChI:
InChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3);
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 73.01 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_formate | Legacy Database | |
| cas-canonical-smile | [Al].O=CO | Legacy Database | |
| cas-inchi | InChI=1S/CH2O2.Al/c2-1-3;/h1H,(H,2,3); | Legacy Database | |
| cas-inchi-key | InChIKey=BHUPJYSNSFVFNJ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Aluminum formate | Legacy Database | |
| wikipedia-name | Aluminium formate | Legacy Database | |
| LogP | -0.6799999999999999 | RDKit | |
| Molecular | Molecular Weight | 73.007 g/mol | RDKit |
| Exact | Exact Molecular Weight | 72.987017934 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 37.3 Ų | RDKit |
| Molar | Molar Refractivity | 14.4468 | RDKit |
