trans-12-Hydroxymethyl-7-methylbenz(a)anthracene-8,9-dihydrodiol
(8S,9S)-12-(hydroxymethyl)-7-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.4 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.7 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 70206-45-0 |
|---|---|
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C(C(C=C4)O)O)CO |
| InChIKey | JKOCLQQMJRIWJU-FXAWDEMLSA-N |
📖 Product Overview
trans-12-Hydroxymethyl-7-methylbenz(a)anthracene-8,9-dihydrodiol (CAS: 70206-45-0) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.4 g/mol. Its IUPAC systematic name is (8S,9S)-12-(hydroxymethyl)-7-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol.
JKOCLQQMJRIWJU-FXAWDEMLSA-N.
SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C(C(C=C4)O)O)CO.
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