| Formula |
C21H14O4S |
| IUPAC Name |
benzo[b]pyren-6-ylmethyl hydrogen sulfate |
| Molecular Mass |
362.398 g·mol−1 |
| Heat of Formation |
-353.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.50 ± 1.08 D |
| Volume |
384.94 Å 3 |
| Surface Area |
334.91 Å 2 |
| HOMO Energy |
-8.36 ± 0.55 eV |
| LUMO Energy |
-1.61 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-benzo[b]pyrenylmethyl hydrogen sulfate
- 6-sulfooxymethylbenzo(a)pyrene
- benzo(a)pyrene-6-methanol, hydrogen sulfate
|
| InChIKey |
WPJPSIKNQCJUCP-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
|
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