Basic information
- CAS
88952-16-3- Standard SMILES
COc1ccc(C(=O)Oc2cc(C)c(Cl)cc2C(C)=O)cc1- InChIKey
GDNYSMKIBLGNRB-UHFFFAOYSA-N- Molecular formula
- C17H15ClO4
- Average molar mass
- 318.7 g/mol
- Monoisotopic mass
- 318.0658866
Names & identifiers
- Preferred name
- 2-Acetyl-4-chloro-5-methylphenyl 4-methoxybenzoate
- IUPAC
- (2-acetyl-4-chloro-5-methylphenyl) 4-methoxybenzoate
Names & synonyms
88952-16-32-Acetyl-4-chloro-5-methylphenyl 4-methoxybenzoateDTXSID70526020
Database identifiers
- CAS
88952-16-3- PubChem CID
- 13190819
- DTXSID
DTXSID70526020
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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