Basic information
- Standard SMILES
CCOC(=O)CC(=O)CCc1ccc(OC)cc1- InChIKey
HTJYJWKJNLKEEI-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(4-Methoxybenzyl)acetoacetate
- IUPAC
- ethyl 5-(4-methoxyphenyl)-3-oxopentanoate
Names & synonyms
SCHEMBL10763604HTJYJWKJNLKEEI-UHFFFAOYSA-NEthyl 4-(4-Methoxybenzyl)acetoacetate5-(4-Methoxyphenyl)-3-oxopentanoic acid, ethyl ester
Database identifiers
- PubChem CID
- 9992286
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
6 records
Compound notes
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