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100900-16-1 | 1,4-Chrysenedione
CAS No: 100900-16-1 Catalog No: AG00035I MDL No:MFCD00009941
Product Description
Catalog Number:
AG00035I
Chemical Name:
1,4-Chrysenedione
CAS Number:
100900-16-1
Molecular Formula:
C18H10O2
Molecular Weight:
258.2708
MDL Number:
MFCD00009941
IUPAC Name:
chrysene-1,4-dione
InChI:
InChI=1S/C18H10O2/c19-16-9-10-17(20)18-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(16)18/h1-10H
InChI Key:
UORKIKBNUWJNJF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1ccc1c2ccc2c1cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.276g/mol
Monoisotopic Mass:
258.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Polycyclic aromatic hydrocarbons as plausible prebiotic membrane components. | Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20120801 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Discovery, total synthesis, HRV 3C-protease inhibitory activity, and structure-activity relationships of 2-methoxystypandrone and its analogues. | Bioorganic & medicinal chemistry letters 20011217 |
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