4-(Naphthalen-2-yl)butan-2-one

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Basic information

CAS: 68427-26-9
Standard SMILES: CC(=O)CCc1ccc2ccccc2c1
InChIKey: ZGJUXLRCZXCYTO-UHFFFAOYSA-N
Molecular formula: C14H14O
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.10446507

Names & identifiers

Preferred name: 4-(Naphthalen-2-yl)butan-2-one
IUPAC: 4-naphthalen-2-ylbutan-2-one

Names & synonyms

4-(Naphthalen-2-yl)butan-2-one68427-26-9DTXSID10325271RefChem:289232DTXCID40276388NSC409523SCHEMBL5236795CHEMBL3278714AKOS013846816NSC-409523CS-0275950EN300-1831928

Database identifiers

CAS: 68427-26-9
PubChem CID: 349684
DTXSID: DTXSID10325271
ChEMBL: CHEMBL3278714
Nikkaji: J2.552.869G

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 221

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Compound notes

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