Benz[a]anthracene
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CAS Number 56-55-3
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Catalog Number io-3297
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Classification Hydrocarbons
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Molecular Weight 228.3000
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SMILES C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
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Benz[a]anthracene can cause cancer according to an independent committee of scientific and health experts.
| 1 | Benz[a]anthracene |
| 2 | Tetraphene |
| 3 | 1,2-Benzanthracene |
| 4 | Benzo[a]anthracene |
| 5 | Benzanthrene |
| Molecular Formula | C18H12 |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32 |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32 |
| Molecular Weight | 228.3000 |
| InChIKey | DXBHBZVCASKNBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H |
| XLogP | 5.8000 |
| ExactMass | 228.0939 |
| MonoisotopicMass | 228.0939 |
| TPSA | 0.0000 |
| Complexity | 294.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 13146 |
| PatentFamilyCount | 5490 |
| LiteratureCount | 6188 |
