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101301-17-1,MFCD12405096
Catalog No.:AA00043I
101301-17-1 | 4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$687.00   $481.00
- +
500mg
95.0%
3 weeks  
$1,030.00   $721.00
- +
1g
95.0%
3 weeks  
$1,295.00   $907.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00043I
Chemical Name:
4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-
CAS Number:
101301-17-1
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD12405096
IUPAC Name:
1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-4,8H,5H2,(H,11,12)(H,13,14)
InChI Key:
NUKMVZOGJJLXBA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNC(=O)c2c1cccc2
Properties
Computed Properties
 
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
101301-17-1 
1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid 
SCHEMBL2098364 
DTXSID10694555 
3,4-Dihydro-2H-isoquinolin-1-one-4-carboxylic acid 
4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo- 
1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxylic acid 
Literature
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