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10139-84-1,MFCD00010817
Catalog No.:AA0004AR
10139-84-1 | 1-(2,4-Dihydroxy-3-methylphenyl)ethanone
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1g
1 week  
$113.00   $79.00
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5g
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$250.00   $175.00
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10g
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$393.00   $275.00
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Technical Information
Catalog Number:
AA0004AR
Chemical Name:
1-(2,4-Dihydroxy-3-methylphenyl)ethanone
CAS Number:
10139-84-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00010817
IUPAC Name:
1-(2,4-dihydroxy-3-methylphenyl)ethanone
InChI:
InChI=1S/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H3
InChI Key:
KMTLZBUHQPQFAV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1O)C)O
Properties
Computed Properties
 
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
10139-84-1 
1-(2,4-Dihydroxy-3-methylphenyl)ethanone 
AC1Q1JHL 
SCHEMBL334851 
CTK0I3758 
KS-00003HMU 
DTXSID90343776 
ZINC163302 
ZX-AT027372 
FCH918393 
HTS001837 
STL185638 
2',4'-Dihydroxy-3'-methylacetophenone 
AKOS004903507 
AC-5769 
BS-3900 
MCULE-1918603581 
VZ22611 
1-acetyl-2,4-dihydroxy-3-methylbenzene 
AN-10632 
ZB007956 
2 ',4 '-Dihydroxy-3 '-methylacetophenone 
TC-171241 
1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one 
1-(2,4-dihydroxy-3-methyl-phenyl)ethanone 
FT-0610116 
ST50405103 
1-(2,4-dihydroxy-3-methyl-phenyl)-ethanone 
1-(2,4-Dihydroxy-3-methylphenyl)ethanone # 
I14-46232 
2',4'-Dihydroxy-3'-methylacetophenone, technical grade, 90% 
InChI=1/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H 
C9H10O3 
2,6-dihydroxy-4-methylacetophenone 
2,4-dihydroxy-3-methylacetophenone 
CID592139 
ZINC00163302 
H183 
MFCD00010817 
KMTLZBUHQPQFAV-UHFFFAOYSA-N 
ethanone, 1-(2,4-dihydroxy-3-methylphenyl)- 
ACMC-20aocy 
AC1LC0DP 
Literature

Title: Genetic, molecular, and biochemical basis of fungal tropolone biosynthesis.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20120515

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