5-(2-Naphthyl)-5-oxovaleric acid
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Basic information
- CAS
59345-42-5- Standard SMILES
O=C(O)CCCC(=O)c1ccc2ccccc2c1- InChIKey
CUDGRTLTTAIWHF-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 5-(2-Naphthyl)-5-oxovaleric acid
- IUPAC
- 5-naphthalen-2-yl-5-oxopentanoic acid
- English name
- 5-(2-NAPHTHYL)-5-OXOVALERIC ACID
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
5-(2-NAPHTHYL)-5-OXOVALERIC ACID59345-42-55-(NAPHTHALEN-2-YL)-5-OXOPENTANOIC ACIDMFCD013200905-naphthalen-2-yl-5-oxopentanoic acidNSC249224SCHEMBL5641458DTXSID203120515-(2-Naphthyl)-5-oxopentanoic acid5-(2-naphthyl)-5-oxo-pentanoic acidAKOS008901404NSC 249224
Show more names
δ-Oxo-2-naphthalenepentanoic acid2-Naphthalenepentanoic acid, δ-oxo-
NSC-2492245-(2-NAPHTHYL)-5-OXOVALERICACIDF207183
Database identifiers
- CAS
59345-42-5- PubChem CID
- 317433
- DTXSID
DTXSID20312051- Nikkaji
- J3.637.085H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 63 · 63-64 °C
- Boiling point
- 477 · 477.0±28.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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