3-Methylcholanthrene-2-one
3-methyl-1H-benzo[j]aceanthrylen-2-one
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.3 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 17.1 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.10446 |
| Heavy Atoms | 22 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 3343-08-6 |
|---|---|
| SMILES | CC1=C2C(=O)CC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
| InChIKey | WZVWVFJAIXIJNQ-UHFFFAOYSA-N |
📖 Product Overview
3-Methylcholanthrene-2-one (CAS: 3343-08-6) is a chemical compound with molecular formula C21H14O and molecular weight 282.3 g/mol. Its IUPAC systematic name is 3-methyl-1H-benzo[j]aceanthrylen-2-one.
WZVWVFJAIXIJNQ-UHFFFAOYSA-N.
SMILES: CC1=C2C(=O)CC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1.
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