1-Sulfooxy-3-methylcholanthrene
(3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) hydrogen sulfate
Also Known As: 1-Sulfooxy-3-methylcholanthrene|1-SMC cpd|(3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) hydrogen sulfate|1-Sulfooxy-1,2-dihydro-3-methylbenz[j]aceanthrylene|{3-methyl-1H,2H-benzo[j]aceanthrylen-1-yl}oxidanesulfonic acid|1-SULFOOXY-1,2-DIHYDRO-3-METHYLBENZ(J)ACEANTHRYLENE|3-METHYL-1,2-DIHYDROCYCLOPENTA(IJ)TETRAPHEN-1-YL HYDROGEN SULFATE|3-Methyl-1,2-dihydrocyclopenta[ij]tetraphen-1-yl hydrogen sulfate|(3-METHYL-1,2-DIHYDROBENZO(J)ACEANTHRYLEN-1-YL) HYDROGEN SULFATE|BENZ(J)ACEANTHRYLEN-1-OL, 1,2-DIHYDRO-3-METHYL-, HYDROGEN SULFATE
| Molecular Formula | C21H16O4S |
|---|---|
| Molecular Weight | 364.07693 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.07693 |
| Monoisotopic Mass | 364.07693 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 179073-71-3 |
|---|---|
| SMILES | CC1=C2CC(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)OS(=O)(=O)O |
| InChIKey | GCTODDXZZNSHQO-UHFFFAOYSA-N |
Product Overview
1-Sulfooxy-3-methylcholanthrene (CAS 179073-71-3), with molecular formula C21H16O4S and molecular weight 364.07693 g/mol. IUPAC: (3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) hydrogen sulfate.
1-Sulfooxy-3-methylcholanthrene is a custom synthesis product. We offer services from milligram to kilogram scale.
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