(4S,5S)-9-Methoxy-4,5-Dihydrobenzo[Pqr]Tetraphene-4,5-Diol
Properties
Property | Value |
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Formula | C21H16O3 |
IUPAC Name | (4s,5s)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol |
Molecular Mass | 316.350 g·mol−1 |
Heat of Formation | -239.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.04 ± 1.08 D |
Volume | 358.37 Å 3 |
Surface Area | 316.06 Å 2 |
HOMO Energy | -8.40 ± 0.55 eV |
LUMO Energy | -0.96 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | INBRASMQRHSCFN-SFTDATJTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |