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23702-49-0

23702-49-0 | 5H-Phenanthro[4,5-bcd]pyran-5-one

CAS No: 23702-49-0 Catalog No: AG002O7F MDL No:

Product Description

Catalog Number:
AG002O7F
Chemical Name:
5H-Phenanthro[4,5-bcd]pyran-5-one
CAS Number:
23702-49-0
Molecular Formula:
C15H8O2
Molecular Weight:
220.2228
IUPAC Name:
2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-3-one
InChI:
InChI=1S/C15H8O2/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(17-15)14(10)13(9)11/h1-8H
InChI Key:
SJXDHZGVKPNCHK-UHFFFAOYSA-N
SMILES:
O=c1oc2cccc3c2c2c1cccc2cc3

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.227g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
Mutagenicity of an aged gasworks soil during bioslurry treatment. Environmental and molecular mutagenesis 20090601
Degradation and formation of polycyclic aromatic compounds during bioslurry treatment of an aged gasworks soil. Environmental toxicology and chemistry 20030701
Incomplete degradation of polycyclic aromatic hydrocarbons in soil inoculated with wood-rotting fungi and their effect on the indigenous soil bacteria. Environmental toxicology and chemistry 20030601

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