8-(6-Hydroperoxy-3,7-diMethyl-2,7-octadienyloxy)psoralen
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8-(6-Hydroperoxy-3,7-diMethyl-2,7-octadienyloxy)psoralen
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CAS No:
151121-39-0
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Formula:
C21H22O6
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Chemical Name:
8-(6-Hydroperoxy-3,7-diMethyl-2,7-octadienyloxy)psoralen
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Synonyms:
8-(6-Hydroperoxy-3,7-diMethyl-2,7-octadienyloxy)psoralen;(E)-8-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)psoralen;8-(6-Hydroperoxy-3,7-diMethylocta-2,7-dienyloxy)psoralen;9-((6-Hydroperoxy-3,7-diMethylocta-2,7-dien-1-yl)oxy)-7H-furo[3,2-g]chroMen-7-one
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CAS No:
Characteristics
82.04000
5.19
1.238±0.06 g/cm3(Predicted)
578.2±50.0 °C(Predicted)
303.5±30.1 °C
1.590
Computed Properties
Molecular Weight:370.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:370.14163842
Monoisotopic Mass:370.14163842
Topological Polar Surface Area:78.1
Heavy Atom Count:27
Complexity:610
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8-(6-Hydroperoxy-3,7-diMethyl-2,7-octadienyloxy)psoralen
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