Basic information
- Standard SMILES
CCOC(=O)COc1ccc(C(C)=O)cc1C- InChIKey
JLAOWXFXSSLUOZ-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-acetyl-2-methylphenoxy)acetate
- IUPAC
- ethyl 2-(4-acetyl-2-methylphenoxy)acetate
Names & synonyms
ethyl(4-acetyl-2-methylphenoxy)acetateethyl{4-acetyl-2-methylphenoxy)acetateSCHEMBL2439155JLAOWXFXSSLUOZ-UHFFFAOYSA-Nethyl 2-(4-acetyl-2-methylphenoxy)acetate
Database identifiers
- PubChem CID
- 21986544
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
11 records
Compound notes
Loading…