Benzo[a]pyrene-7,8-dihydrodiol
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![Benzo[a]pyrene-7,8-dihydrodiol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/23a0ab827ec9483fbefd49410e3152f9.png "Benzo[a]pyrene-7,8-dihydrodiol")
Benzo[a]pyrene-7,8-dihydrodiol
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CAS No:
13345-25-0
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Formula:
C20H14O2
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Chemical Name:
Benzo[a]pyrene-7,8-dihydrodiol
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Synonyms:
Benzo[a]pyrene-7,8-diol,7,8-dihydro-;7,8-Dihydrobenzo[a]pyrene-7,8-diol;7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene;7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene;Benzo[a]pyrene-7,8-dihydrodiol;7,8-Benzo[a]pyrenedihydrodiol;7,8-Dihydrodihydroxybenzo[a]pyrene
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CAS No:
Characteristics
40.5
3.9
1.46g/cm3
553.3ºC at 760mmHg
268.6ºC
1.911
4.47E-13mmHg at 25°C
mma-sat 8 mmol/L CALEDQ 24,281,84
Flammable; burning produces irritating fumes
Drug Information
7,8-Dihydrobenzo[a]pyrene-7,8-diol has known human metabolites that include Benzo(a)pyrene diol epoxide.
7,8-dihydro 7,8-dihydroxybenzo(a)pyrene
Computed Properties
Molecular Weight:286.3
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:286.099379685
Monoisotopic Mass:286.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:22
Complexity:472
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- formula urea
- lead sulfate
- ch3cl
- viprostol
- barium oxide
- tianqing-chem