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Home Other Building Blocks 1,2-Dibenzoylethane

1,2-Dibenzoylethane

CAS No.:
495-71-6
Catalog Number:
AG0032KM
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$107
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Product Description
Catalog Number:
AG0032KM
Chemical Name:
1,2-Dibenzoylethane
CAS Number:
495-71-6
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
MDL Number:
MFCD00037818
IUPAC Name:
1,4-diphenylbutane-1,4-dione
InChI:
InChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
OSWWFLDIIGGSJV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCC(=O)c1ccccc1
NSC Number:
402168
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
1,4-Diphenyl-butane-1,4-dione. Acta crystallographica. Section E, Structure reports online 20081201
A radical-anion chain mechanism initiated by dissociative electron transfer to a bicyclic endoperoxide: insight into the fragmentation chemistry of neutral biradicals and distonic radical anions. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Properties