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20928-82-9 | Benzo[a]pyren-6-yloxy (8CI,9CI)
CAS No: 20928-82-9 Catalog No: AG002K5D MDL No:
Product Description
Catalog Number:
AG002K5D
Chemical Name:
Benzo[a]pyren-6-yloxy (8CI,9CI)
CAS Number:
20928-82-9
Molecular Formula:
C20H11O
Molecular Weight:
267.3007
IUPAC Name:
6-λ1-oxidanylbenzo[a]pyrene
InChI:
InChI=1S/C20H11O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H
InChI Key:
IGHJRQIADWAMHM-UHFFFAOYSA-N
SMILES:
[O]c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.307g/mol
Monoisotopic Mass:
267.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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