Basic information
- CAS
5438-57-3- Standard SMILES
CCC(CC)COC(=O)c1ccc(O)c(O)c1- InChIKey
CCCKHDBAXCHRQZ-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 2-Ethylbutyl 3,4-dihydroxybenzoate
- IUPAC
- 2-ethylbutyl 3,4-dihydroxybenzoate
Names & synonyms
5438-57-32-ethylbutyl 3,4-dihydroxybenzoateNSC16709DTXSID50280395NSC-16709
Database identifiers
- CAS
5438-57-3- PubChem CID
- 226331
- DTXSID
DTXSID50280395
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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