Formula |
C21H14O |
IUPAC Name |
benzo[b]pyren-6-ylmethanol |
Molecular Mass |
282.335 g·mol−1 |
Heat of Formation |
166.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.88 ± 1.08 D |
Volume |
325.53 Å 3 |
Surface Area |
287.51 Å 2 |
HOMO Energy |
-8.10 ± 0.55 eV |
LUMO Energy |
-1.32 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 6-(hydroxymethyl)benzo(a)pyrene
- 6-benzo[b]pyrenylmethanol
- 6-hydroxymethylbenzo(a)pyrene
- benzo(a)pyrene, 6-hydroxymethyl-
- benzo(a)pyrene-6-methanol
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CAS Number(s) |
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InChIKey |
FJQLVOHCPDYIFE-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
|
Downloads |
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Elements |
H
C
O
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