3-Methylperylene

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Basic information

CAS: 24471-47-4
Standard SMILES: Cc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIKey: DZFULQFHDSYXKM-UHFFFAOYSA-N
Molecular formula: C21H14
Average molar mass: 266.3 g/mol
Monoisotopic mass: 266.10955045

Names & identifiers

Preferred name: 3-Methylperylene
IUPAC: 3-methylperylene

Names & synonyms

3-METHYLPERYLENEPerylene, 3-methyl-S1XG38HY95UNII-S1XG38HY95DTXSID30179233RefChem:198376DTXCID60101724DZFULQFHDSYXKM-UHFFFAOYSA-N24471-47-43-Methylperylen3-Methylperylene #SCHEMBL10789317

Show more names

SCHEMBL28959261

Database identifiers

CAS: 24471-47-4
PubChem CID: 32415
DTXSID: DTXSID30179233
UNII: S1XG38HY95
Nikkaji: J344.875D

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 399

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Compound notes

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