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1009-61-6,MFCD00008750
Catalog No.:AA00031U
1009-61-6 | 1,4-Diacetylbenzene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$36.00   $25.00
- +
5g
98%
in stock  
$135.00   $95.00
- +
25g
98%
in stock  
$603.00   $422.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00031U
Chemical Name:
1,4-Diacetylbenzene
CAS Number:
1009-61-6
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00008750
IUPAC Name:
1-(4-acetylphenyl)ethanone
InChI:
InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
InChI Key:
SKBBQSLSGRSQAJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C(=O)C
EC Number:
213-769-4
NSC Number:
295548
Properties
Computed Properties
 
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1,4-Diacetylbenzene 
1009-61-6 
1,1-(1,4-Phenylene)bis-ethanone 
FR-2298 
J-503972 
EINECS 213-769-4 
4-Acetylacetophenone 
4'-Acetylacetophenone 
NSC 295548 
PubChem3143 
ACMC-1BWLG 
DSSTox_CID_1657 
1,1'-(1,4-phenylene)diethanone 
1-(4-acetylphenyl)ethanon 
p-ACETYL ACETOPHENONE 
DSSTox_RID_76269 
DSSTox_GSID_21657 
SCHEMBL50646 
1,4-Diacetylbenzene, 99% 
1-(4-acetylphenyl)-ethanone 
1-(4-ethanoylphenyl)ethanone 
Benzene, p-diacetyl- (8CI) 
1-(4-Acetyl-phenyl)-ethanone 
p-Diacetylbenzene 
AC1L22P5 
CHEMBL3186189 
DTXSID7021657 
CTK3J9396 
Ethanone,1'-(1,4-phenylene)bis- 
ZINC2026195 
ZX-AT015227 
Tox21_201219 
ANW-14405 
MFCD00008750 
p-Acetylacetophenone 
NSC295548 
SBB008588 
AKOS003628600 
Ethanone,1,1'-(1,4-phenylene)bis- 
FCH1114378 
MCULE-6429827613 
NSC-295548 
OR59988 
RP22519 
RTR-000280 
Benzene, p-diacetyl- 
NCGC00248961-01 
NCGC00258771-01 
AJ-32839 
AK114027 
AN-48299 
CC-03300 
SC-65431 
ST092348 
CAS-1009-61-6 
AX8000050 
Ethanone, 1,1'-(1,4-phenylene)bis- 
BB0295855 
TR-000280 
D0066 
FT-0606830 
ST24032121 
A800303 
C-04213 
I01-5794 
InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H 
alpha-Methylhydrocinnamic acid 
1-(4-acetylphenyl)ethanone 
C10H10O2 
CID13888 
C10-H10-O2 
1,4-Diacetylbenzene, 99% - 25G 25g 
1-(4-Acetylphenyl)ethan-1-one 
SKBBQSLSGRSQAJ-UHFFFAOYSA-N 
Literature

Title: Highly luminescent and triboluminescent coordination polymers assembled from lanthanide β-diketonates and aromatic bidentate O-donor ligands.

Journal: Inorganic chemistry 20101018

Title: New chemical and biological aspects of artemisinin-derived trioxane dimers.

Journal: Bioorganic & medicinal chemistry 20020101

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