7-Ethoxy-12-methylbenz(a)anthracene

HCID 85372

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Basic information

CAS: 16354-48-6
Standard SMILES: CCOc1c2ccccc2c(C)c2c1ccc1ccccc12
InChIKey: HNDLQDOGWRGELT-UHFFFAOYSA-N
Molecular formula: C21H18O
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.13576519

Names & identifiers

Preferred name: 7-Ethoxy-12-methylbenz(a)anthracene
IUPAC: 7-ethoxy-12-methylbenzo[a]anthracene

Names & synonyms

7-Ethoxy-12-methylbenz(a)anthraceneBenz(a)anthracene, 7-ethoxy-12-methyl-16354-48-67-Ethoxy-12-methylbenz[a]anthracene7-ethoxy-12-methyltetrapheneBRN 3099786DTXSID60936836HNDLQDOGWRGELT-UHFFFAOYSA-N

Database identifiers

CAS: 16354-48-6
PubChem CID: 85372
DTXSID: DTXSID60936836
Nikkaji: J35.541K

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 378

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