Basic information
- Standard SMILES
CCc1cc(OC(C)=O)cc(OC(C)=O)c1- InChIKey
NHPZDKHYSCDNIY-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 1,3-Diacetoxy-5-ethylbenzene
- IUPAC
- (3-acetyloxy-5-ethylphenyl) acetate
Names & synonyms
1,3-diacetoxy-5-ethylbenzeneSCHEMBL3407391NHPZDKHYSCDNIY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22016662
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
2 records
Compound notes
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