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24909-09-9

24909-09-9 | Benzo[a]pyrene-9,10-diol, 9,10-dihydro-

CAS No: 24909-09-9 Catalog No: AG002PTJ MDL No:

Product Description

Catalog Number:
AG002PTJ
Chemical Name:
Benzo[a]pyrene-9,10-diol, 9,10-dihydro-
CAS Number:
24909-09-9
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
9,10-dihydrobenzo[a]pyrene-9,10-diol
InChI:
InChI=1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H
InChI Key:
GHARBPKRUUKTCI-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3

Properties

Complexity:
472  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.33g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
New insights into BaP-induced toxicity: role of major metabolites in transcriptomics and contribution to hepatocarcinogenesis. Archives of toxicology 20160101
Inflammatory mediators accelerate metabolism of benzo[a]pyrene in rat alveolar type II cells: the role of enhanced cytochrome P450 1B1 expression. Toxicology 20131206
Characterization of a novel cytochrome P450 from the transformable cell line, C3H/10T1/2. Carcinogenesis 19900201

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