1-Anthracen-9-ylhexan-1-one

HCID 3930397

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Basic information

CAS: 62315-58-6
Standard SMILES: CCCCCC(=O)c1c2ccccc2cc2ccccc12
InChIKey: YSCAZHOIXCTCIH-UHFFFAOYSA-N
Molecular formula: C20H20O
Average molar mass: 276.4 g/mol
Monoisotopic mass: 276.15141526

Names & identifiers

Preferred name: 1-Anthracen-9-ylhexan-1-one
IUPAC: 1-anthracen-9-ylhexan-1-one

Names & synonyms

1-anthracen-9-ylhexan-1-one62315-58-6DTXSID20398032RefChem:227590DTXCID803488911-(9-anthryl)hexan-1-oneAKOS0242786871-(ANTHRACEN-9-YL)HEXAN-1-ONEST023768

Database identifiers

CAS: 62315-58-6
PubChem CID: 3930397
DTXSID: DTXSID20398032

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 326

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