Formula |
C20H12O |
IUPAC Name |
benzo[b]pyren-6-ol |
Molecular Mass |
268.309 g·mol−1 |
Heat of Formation |
152.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.63 ± 1.08 D |
Volume |
303.21 Å 3 |
Surface Area |
272.08 Å 2 |
HOMO Energy |
-7.93 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 5-hydroxy-3,4-benzopyrene
- 6-benzo[b]pyrenol
- 6-hydroxybenzo(a)pyrene
- benzo(a)pyren-6-ol
- benzo(a)pyrene, 6-hydroxy-
- benzo(a)pyrenol
- benzo[a]pyren-6-ol
|
CAS Number(s) |
- 63455-19-6
- 64811-02-5
- 33953-73-0
|
InChIKey |
MGTMTTGZMPDIQS-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
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ChemSpider
|
DOI |
|
Downloads |
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|
Elements |
H
C
O
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