Basic information
- Standard SMILES
CCOC(=O)C1=C(O)c2c(Cl)cccc2C(C)(C)C1=O- InChIKey
FXMZTESMWYMRRS-UHFFFAOYSA-N- Molecular formula
- C15H15ClO4
- Average molar mass
- 294.73 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalene-3-carboxylate
- IUPAC
- ethyl 8-chloro-1-hydroxy-4,4-dimethyl-3-oxonaphthalene-2-carboxylate
Names & synonyms
1035262-63-5ethyl 5-chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalene-3-carboxylateSCHEMBL1625899FXMZTESMWYMRRS-UHFFFAOYSA-NDA-33768
Database identifiers
- PubChem CID
- 67099489
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 466
Related reactions
5 records
Compound notes
Loading…