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727-71-9,MFCD00205539
Catalog No.:AA003HS6
727-71-9 | 2,4,6-Trihydroxy phenyl benzyl ketone
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1g
≥ 99% (HPLC)
1 week  
$142.00   $100.00
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5g
≥ 99% (HPLC)
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$424.00   $297.00
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Technical Information
Catalog Number:
AA003HS6
Chemical Name:
2,4,6-Trihydroxy phenyl benzyl ketone
CAS Number:
727-71-9
MDL Number:
MFCD00205539
IUPAC Name:
2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone
InChI:
InChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-9-4-2-1-3-5-9/h1-5,7-8,15,17-18H,6H2
InChI Key:
SLHBRIIHMDJIBT-UHFFFAOYSA-N
Properties
Computed Properties
 
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
727-71-9 
2,4,6-Trihydroxy phenyl benzyl ketone 
Oprea1_830507 
2,4,6-Trihydroxydeoxybenzoin 
SCHEMBL145265 
CHEMBL560920 
CTK5D6790 
ZINC58292 
ZX-AT027614 
4915AH 
KM1503 
MFCD00205539 
2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone 
2,4,6-trihydroxyphenyl benzyl ketone 
AKOS001578250 
Benzyl 2,4,6-Trihydroxyphenyl Ketone 
MCULE-3027427372 
VZ22401 
2',4',6'-Trihydroxy-2-phenylacetophenone 
DB-019832 
FT-0632882 
ST50308818 
2-Phenyl-2',4',6'-trihydroxyacetophenone, 97% 
Ethanone,2-phenyl-1-(2,4,6-trihydroxyphenyl)- 
C-14800 
SR-01000078585 
SR-01000078585-1 
1-(2,4,6-TRIHYDROXYPHENYL)-2-PHENYLETHANONE 
I14-45745 
C14H12O4 
AR-1E4790 
CID689111 
ZINC00058292 
2,4,6-TRIHYDROXYPHENYLBENZYLKETONE 
2-phenyl-1-(2,4,6-trihydroxyphenyl)ethan-1-one 
2-Phenyl-2',4',6'-trihydroxyacetophenone 
T3390 
7351-53-3 
AE-848/00228004 
AC1LENHR 
AC1Q5D4S 
ITB-4 
Oprea1_503963 
Literature

Title: Potential antioxidants and tyrosinase inhibitors from synthetic polyphenolic deoxybenzoins.

Journal: Bioorganic & medicinal chemistry 20090701

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