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Home Carboxys 7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid

7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid

CAS No.:
53164-36-6
Catalog Number:
AG00DK2N
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$96
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500mg
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$144
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1g
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$221
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2.5g
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United States
$380
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5g
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United States
$589
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10g
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United States
$922
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25g
In Stock USA
United States
$1665
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50g
In Stock USA
United States
$2610
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Product Description
Catalog Number:
AG00DK2N
Chemical Name:
7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
CAS Number:
53164-36-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00024005
IUPAC Name:
7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C12H11NO3/c1-6-3-4-8-10(7(6)2)13-5-9(11(8)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
NDYCTYRHTJYACP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1O)ccc(c2C)C
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2. Journal of medicinal chemistry 20061102
Properties