7,8,9,10-TETRAHYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE
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7,8,9,10-TETRAHYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE
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CAS No:
61490-67-3
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Formula:
C20H16O4
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Chemical Name:
7,8,9,10-TETRAHYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE
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Synonyms:
7,9/8,10-Tetrahydroxytetrahydrobenzo[a]pyrene;7beta,8alpha,9beta,10alpha-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene;rel-(7R,8S,9S,10R)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol;Benzo[a]pyrenetetrol II 1;r-7,t-8,9,c-10-tetrahydroxy-7,8,9,10-tetrahydrobenzopyrene;Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9S,10R)-rel-;(+/-)-BENZO[A]PYRENE-R-7,T-8,C-9,T-10-TETRAHYDRO- TETROL (RING-13C6,99%) 100 UG/ML IN MEOH (97% CP)
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CAS No:
7,8,9,10-TETRAHYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE Basic Attributes
320.34
320.34
DTXSID10210456
Off-White to Light Beige
Characteristics
80.9 Ų
1.628±0.06 g/cm3(Predicted)
182-185°C
589.8±50.0 °C(Predicted)
13.26±0.70(Predicted)
-20°C Freezer
7,8,9,10-TETRAHYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE Use and Manufacturing
Benzo[a]pyrenetetrol II 1 is an environmental pollutant and carcinogen in humans and rodents, used in metabolic studies.
Computed Properties
Molecular Weight:320.3
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Exact Mass:320.10485899
Monoisotopic Mass:320.10485899
Topological Polar Surface Area:80.9
Heavy Atom Count:24
Complexity:496
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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