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115482-67-2 | 1(2H)-Chrysenone, 3,4,5,6-tetrahydro-
CAS No: 115482-67-2 Catalog No: AG000G1U MDL No:
Product Description
Catalog Number:
AG000G1U
Chemical Name:
1(2H)-Chrysenone, 3,4,5,6-tetrahydro-
CAS Number:
115482-67-2
Molecular Formula:
C18H16O
Molecular Weight:
248.3190
IUPAC Name:
3,4,5,6-tetrahydro-2H-chrysen-1-one
InChI:
InChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,10-11H,3,6-9H2
InChI Key:
KVMNSLAMBBOLML-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccc1c2CCc2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.325g/mol
Monoisotopic Mass:
248.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and photoirradiation of isomeric ethylchrysenes by UVA light leading to lipid peroxidation. | International journal of environmental research and public health 20070201 |
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