BENZ(a)ANTHRACENE, 8-METHOXY-

HCID 44295

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Basic information

CAS: 63019-69-2
Standard SMILES: COc1cccc2cc3c(ccc4ccccc43)cc12
InChIKey: FIMRAZGXNOUPTR-UHFFFAOYSA-N
Molecular formula: C19H14O
Average molar mass: 258.3 g/mol
Monoisotopic mass: 258.10446507

Names & identifiers

Preferred name: BENZ(a)ANTHRACENE, 8-METHOXY-
IUPAC: 8-methoxybenzo[a]anthracene
English name: 8-Methoxybenz[a]anthracene
Molecular formula: C19H14O
Molecular weight: 258.31

Names & synonyms

BENZ(a)ANTHRACENE, 8-METHOXY-63019-69-28-Methoxybenz(a)anthracene8-Methoxybenz[a]anthracene8-methoxytetraphene5-Methoxy-1,2-benzanthraceneBRN 18792201,2-Benz(a)anthracene, 5-methoxy-4-06-00-05083 (Beilstein Handbook Reference)DTXSID10212273DB-296900Benz[a]anthracene, 8-methoxy-

Database identifiers

CAS: 63019-69-2
PubChem CID: 44295
DTXSID: DTXSID10212273
Nikkaji: J73.188I

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 339

Physicochemical properties

Boiling point: 361.57 °C · 361.57°C (rough estimate)
Density: 1.0651 · 1.0651 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)

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