(4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol
(4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.3 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 51689-89-5 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C(C(C5=CC=CC(=C54)C=C3)O)O |
| InChIKey | OYOQHRXJXXTZII-UXHICEINSA-N |
📖 Product Overview
(4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol (CAS: 51689-89-5) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.3 g/mol. Its IUPAC systematic name is (4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol.
OYOQHRXJXXTZII-UXHICEINSA-N.
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C(C(C5=CC=CC(=C54)C=C3)O)O.
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