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16603-18-2,MFCD00210454
Catalog No.:AA003ICC
16603-18-2 | 1-(3,4,5-Trimethoxyphenyl)propan-2-one
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5g
4 weeks  
$242.00   $169.00
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10g
4 weeks  
$286.00   $200.00
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25g
4 weeks  
$420.00   $294.00
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50g
4 weeks  
$572.00   $400.00
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100g
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$822.00   $575.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003ICC
Chemical Name:
1-(3,4,5-Trimethoxyphenyl)propan-2-one
CAS Number:
16603-18-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00210454
IUPAC Name:
1-(3,4,5-trimethoxyphenyl)propan-2-one
InChI:
InChI=1S/C12H16O4/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-7H,5H2,1-4H3
InChI Key:
WDNDMVGQGRDIBC-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)C)cc(c1OC)OC
Properties
Computed Properties
 
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
16603-18-2 
1-(3,4,5-trimethoxyphenyl)propan-2-one 
AC1L42Y0 
SCHEMBL2307800 
3,4,5-trimethoxyphenyl acetone 
CTK4D2231 
ZINC2558116 
AKOS022181823 
MCULE-5197904035 
AJ-40107 
2-Propanone,1-(3,4,5-trimethoxyphenyl)- 
TC-170056 
3,4,5-TRIMETHOXYPHENYLACETONE 
ST50407526 
CID177759 
2-Propanone, 1-(3,4,5-trimethoxyphenyl)- 
1-(3,4,5-Trimethoxyphenyl)Acetone 
3,4,5-Trimethoxyphenyl-2-propanone 
WDNDMVGQGRDIBC-UHFFFAOYSA-N 
MFCD00210454 
AC1Q48CJ 
ACMC-1C6I7 
Literature

Title: Acetyl analogs of combretastatin A-4: synthesis and biological studies.

Journal: Bioorganic & medicinal chemistry 20110401

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