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603952-64-3,MFCD24386547
Catalog No.:AA00EF4M

603952-64-3 | 6-[(3,4-Dihydro-4,4-diMethyl-1-oxido-2H-1-benzothiopyran- 6-yl)ethynyl]-3-pyridinecarboxylic Acid

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10mg
3 weeks  
$518.00   $362.00
- +
100mg
3 weeks  
$2,873.00   $2,011.00
- +
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Technical Information
Catalog Number:
AA00EF4M
Chemical Name:
6-[(3,4-Dihydro-4,4-diMethyl-1-oxido-2H-1-benzothiopyran- 6-yl)ethynyl]-3-pyridinecarboxylic Acid
CAS Number:
603952-64-3
Molecular Formula:
C19H17NO3S
Molecular Weight:
339.4082
MDL Number:
MFCD24386547
SMILES:
OC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2=O
Properties
Computed Properties
 
Complexity:
588  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.8  

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Tags:603952-64-3 Molecular Formula|603952-64-3 MDL|603952-64-3 SMILES|603952-64-3 6-[(3,4-Dihydro-4,4-diMethyl-1-oxido-2H-1-benzothiopyran- 6-yl)ethynyl]-3-pyridinecarboxylic Acid