BPDE-III
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BPDE-III
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CAS No:
66212-61-1
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Formula:
C20H14O3
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Chemical Name:
BPDE-III
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Synonyms:
9r,10t-dihydroxy-7c,8c-oxy-7,8,9,10-tetrahydrobenzeno(a)pyrene;benzo(a)pyrene diolepoxide III;BPDE-III;Bpde III;(+-)-anti-BPDE-III;Benzo(a)pyrene-9,10-diol-7,8-epoxide, anti;9r,10t-Dihydroxy-7c,8c-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene;(+-)-9beta,10alpha-Dihydroxy-7beta,8beta-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene;Benzo(a)pyrene, 7,8,9,10-tetahydro-9-alpha,10-beta-dihydroxy-7-beta,8-beta-epoxy-, (+-)-
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CAS No:
Computed Properties
Molecular Weight:302.3
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:302.094294304
Monoisotopic Mass:302.094294304
Topological Polar Surface Area:53
Heavy Atom Count:23
Complexity:507
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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