Formula |
C21H14O |
IUPAC Name |
benzo[a]pyren-11-ylmethanol |
Molecular Mass |
282.335 g·mol−1 |
Heat of Formation |
161.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.69 ± 1.08 D |
Volume |
327.8 Å 3 |
Surface Area |
287.98 Å 2 |
HOMO Energy |
-8.20 ± 0.55 eV |
LUMO Energy |
-1.40 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 11-benzo[b]pyrenylmethanol
- 11-hydroxymethylbenzo(a)pyrene
- benzo[b]pyren-11-ylmethanol
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CAS Number(s) |
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InChIKey |
PJBXZHYQBHKPGT-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
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Downloads |
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Elements |
H
C
O
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