4-Oxo-4-(3-phenoxyphenyl)butyric acid
Basic information
- CAS
54364-84-0- Standard SMILES
O=C(O)CCC(=O)c1cccc(Oc2ccccc2)c1- InChIKey
POKGFIGOMDBVKX-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 4-Oxo-4-(3-phenoxyphenyl)butyric acid
- IUPAC
- 4-oxo-4-(3-phenoxyphenyl)butanoic acid
- English name
- 4-Oxo-4-(3-phenoxyphenyl)butyric acid
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
4-OXO-4-(3-PHENOXYPHENYL)BUTYRIC ACID54364-84-04-oxo-4-(3-phenoxyphenyl)butanoic AcidMFCD00963144DTXSID00394855AKOS010909251DB-3250804-OXO-4-(3-PHENOXYPHENYL)BUTYRICACIDF207167γ-Oxo-3-phenoxybenzenebutanoic acidγ-Oxo-3-phenoxybenzenebutanoic acidBenzenebutanoic acid, γ-oxo-3-phenoxy-
Database identifiers
- CAS
54364-84-0- PubChem CID
- 3669099
- DTXSID
DTXSID00394855
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 474.8 · 474.8±30.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.17(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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