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28622-72-2

28622-72-2 | 3,4-Chrysenediol, 3,4-dihydro-

CAS No: 28622-72-2 Catalog No: AG002VWK MDL No:

Product Description

Catalog Number:
AG002VWK
Chemical Name:
3,4-Chrysenediol, 3,4-dihydro-
CAS Number:
28622-72-2
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
3,4-dihydrochrysene-3,4-diol
InChI:
InChI=1S/C18H14O2/c19-16-10-7-12-6-8-14-13-4-2-1-3-11(13)5-9-15(14)17(12)18(16)20/h1-10,16,18-20H
InChI Key:
XOKPMCWSKPASGO-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)c1ccc3c(c1cc2)cccc3

Properties

Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Literature

Title Journal
Quantitative determination of de-conjugated chrysene metabolites in fish bile by HPLC-fluorescence and GC--MS. Chemosphere 20040201

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