Benzo(a)pyrene, 3-hydroxy-, sulfate
benzo[a]pyren-3-yl hydrogen sulfate
Also Known As: Benzo(a)pyrenyl-3-sulfate|Benzo(a)pyrene-3-sulfate|3-Hydroxybenzo(a)pyrene sulfate|Benzo(a)pyrene, 3-hydroxy-, sulfate|benzo[a]pyrene-3-sulfate|Benzo[a]pyrene-3-ol sulfate|benzo[a]pyren-3-yl hydrogen sulfate|benzo(a)pyren-3-yl hydrogen sulphate|benzo[pqr]tetraphen-3-yl hydrogen sulfate|J1.714.373E|{pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,10,12,14,16,19-decaen-13-yl}oxidanesulfonic acid
| Molecular Formula | C20H12O4S |
|---|---|
| Molecular Weight | 348.04562 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.04562 |
| Monoisotopic Mass | 348.04562 |
| Heavy Atoms | 25 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 61996-71-2 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)OS(=O)(=O)O |
| InChIKey | UDBRORAOPVVTME-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 3-hydroxy-, sulfate (CAS 61996-71-2), with molecular formula C20H12O4S and molecular weight 348.04562 g/mol. IUPAC: benzo[a]pyren-3-yl hydrogen sulfate.
Benzo(a)pyrene, 3-hydroxy-, sulfate is a custom synthesis product. We offer services from milligram to kilogram scale.
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