Basic information
- CAS
4067-14-5- Standard SMILES
CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc(C(=O)[O-])cc1.[Al+3]- InChIKey
ZGNIGAHODXRWIT-UHFFFAOYSA-K- Molecular formula
- C33H39AlO6
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.2562024
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)
- IUPAC
- aluminum tris(4-tert-butylbenzoate)
Names & synonyms
EINECS 223-774-3Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1)RefChem:5658594067-14-5Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum saltAluminium 4-(1,1-dimethylethyl)benzoatealuminum;4-tert-butylbenzoateSCHEMBL226823DTXSID0063282ZGNIGAHODXRWIT-UHFFFAOYSA-KAluminium tris(4-tert-butylbenzoate)NS00083620
Database identifiers
- CAS
4067-14-5- PubChem CID
- 77682
- DTXSID
DTXSID0063282- EC Number
- 223-774-3
- Nikkaji
- J217.873G
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 177
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt (3:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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