Benz(a)anthracene, 1,7,12-trimethyl-

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Basic information

CAS: 60786-51-8
Standard SMILES: Cc1c2ccccc2c(C)c2c1ccc1cccc(C)c12
InChIKey: JBEPSPRTDUVLGZ-UHFFFAOYSA-N
Molecular formula: C21H18
Average molar mass: 270.4 g/mol
Monoisotopic mass: 270.14085057

Names & identifiers

Preferred name: Benz(a)anthracene, 1,7,12-trimethyl-
IUPAC: 1,7,12-trimethylbenzo[a]anthracene

Names & synonyms

1,7,12-Trimethylbenz(a)anthraceneBENZ(a)ANTHRACENE, 1,7,12-TRIMETHYL-BRN 227400660786-51-8DTXSID002096171,7,12-Trimethylbenz[a]anthraceneBenz[a]anthracene, 1,7,12-trimethyl-RefChem:321013DTXCID501321081,7,12-trimethyltetrapheneD94W9SX46U1,7,12-trimethylbenz[ a]anthracene

Show more names

Trimethylbenz[a]anthracene, 1,7,12-

Database identifiers

CAS: 60786-51-8
PubChem CID: 43474
DTXSID: DTXSID00209617
UNII: D94W9SX46U
Nikkaji: J1.621.114A

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 372

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Compound notes

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