Basic information
- CAS
5435-10-9- Standard SMILES
CCOC(=O)C(CCC(C(=O)O)c1ccccc1)c1ccccc1- InChIKey
YWIURNVQWWVGGL-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- 6-Ethoxy-6-oxo-2,5-diphenylhexanoic acid
- IUPAC
- 6-ethoxy-6-oxo-2,5-diphenylhexanoic acid
Names & synonyms
NSC151775435-10-96-ethoxy-6-oxo-2,5-diphenylhexanoic acidDTXSID90280051NSC-15177
Database identifiers
- CAS
5435-10-9- PubChem CID
- 225604
- DTXSID
DTXSID90280051
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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