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100900-16-1,MFCD00009941
Catalog No.:AA00032Q
100900-16-1 | 1,4-Chrysenedione
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100mg
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  • Technical Information
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Technical Information
Catalog Number:
AA00032Q
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
Computed 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  

Synonyms
 
1,4-Chrysenequinone 
Chrysene-1,4-dione 
Prestwick1_000615 
Prestwick2_000615 
Prestwick3_000615 
BSPBio_000550 
SCHEMBL893374 
SPBio_002769 
ACMC-2097t5 
AC1L483T 
BPBio1_000606 
CHEBI:94533 
100900-16-1 
CTK0I0965 
DTXSID90143571 
UORKIKBNUWJNJF-UHFFFAOYSA-N 
HMS1569L12 
HMS2096L12 
KS-000014IO 
ZINC2539285 
ANW-14391 
BDBM50107004 
MFCD00009941 
1,4-Chrysenedione 
CC-1627 
NCGC00016967-01 
NCGC00016967-02 
DB-005067 
HY-111441 
RT-006148 
CAS-100900-16-1 
CS-0040835 
FT-0642436 
C-16078 
1-4-CHRYSENEQUINONE 
SR-01000872668 
J-000250 
SR-01000872668-1 
BRD-K18812295-001-01-5 
I14-108747 
AIDS121736 
CID180933 
C18-H10-O2 
C2214 
2304-83-8 
Chrysene-1,4-quinone 
CHEMBL421215 
Prestwick_898 
1,4-Chrysenedione # 
Prestwick0_000615 
Literature

Title: Polycyclic aromatic hydrocarbons as plausible prebiotic membrane components.

Journal: Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 20120801

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Discovery, total synthesis, HRV 3C-protease inhibitory activity, and structure-activity relationships of 2-methoxystypandrone and its analogues.

Journal: Bioorganic & medicinal chemistry letters 20011217

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