Basic information
- CAS
52655-08-0- Standard SMILES
CC(C)CCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
GJCYPSBOSGWHEO-UHFFFAOYSA-N- Molecular formula
- C15H22O5
- Average molar mass
- 282.33 g/mol
- Monoisotopic mass
- 282.1467238
Names & identifiers
- Preferred name
- Isooctyl gallate
- IUPAC
- 6-methylheptyl 3,4,5-trihydroxybenzoate
- English name
- isooctyl gallate
- Molecular formula
- C15H22O5
- Molecular weight
- 282.33218
Names & synonyms
Isooctyl gallate82W22N9RJGEINECS 258-070-5DTXSID80200622Benzoic acid, 3,4,5-trihydroxy-, isooctyl esterRefChem:149660DTXCID10123113258-070-552655-08-06-methylheptyl 3,4,5-trihydroxybenzoateUNII-82W22N9RJGSCHEMBL1883477
Show more names
GJCYPSBOSGWHEO-UHFFFAOYSA-NDB-254972NS00032549
Database identifiers
- CAS
52655-08-0- PubChem CID
- 104271
- DTXSID
DTXSID80200622- UNII
- 82W22N9RJG
- EC Number
- 258-070-5
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- FDA UNII
- 82 W22N9RJG · 82W22N9RJG
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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