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486-73-7,MFCD00006901
Catalog No.:AA003R2Q

486-73-7 | Isoquinoline-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$13.00   $9.00
- +
10g
98%
in stock  
$16.00   $11.00
- +
25g
98%
in stock  
$38.00   $27.00
- +
100g
98%
in stock  
$111.00   $78.00
- +
500g
98%
in stock  
$534.00   $374.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R2Q
Chemical Name:
Isoquinoline-1-carboxylic acid
CAS Number:
486-73-7
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00006901
SMILES:
OC(=O)c1nccc2c1cccc2
NSC Number:
218351
Properties
Properties
 
BP:
405.6°C at 760 mmHg  
Form:
Solid  
MP:
164 °C (dec.)(lit.)  
Refractive Index:
n20/D 1.358(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Literature

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry 20110127

Title: Tetra-ethyl-ammonium tricarbonyl-chlorido(isoquinoline-1-carboxyl-ato-κN,O)technetate(I).

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20021201

Title: Bis(isoquinoline-1-carboxylato-kappa2O,N)(1,10-phenanthroline-kappa2N,N')zinc(II) dimethylformamide sesquisolvate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020401

Title: Chloro(2,9-dimethyl-1,10-phenanthroline-N,N')(isoquinoline-1-carboxylato-O,N)copper(II).

Journal: Acta crystallographica. Section C, Crystal structure communications 20011101

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SDS
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Tags:486-73-7 Molecular Formula|486-73-7 MDL|486-73-7 SMILES|486-73-7 Isoquinoline-1-carboxylic acid
Catalog No.: AA003R2Q
486-73-7,MFCD00006901
486-73-7 | Isoquinoline-1-carboxylic acid
Pack Size： 5g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 10g
Purity： 98%
in stock
$16.00 $11.00
Pack Size： 25g
Purity： 98%
in stock
$38.00 $27.00
Pack Size： 100g
Purity： 98%
in stock
$111.00 $78.00
Pack Size： 500g
Purity： 98%
in stock
$534.00 $374.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003R2Q
Chemical Name: Isoquinoline-1-carboxylic acid
CAS Number: 486-73-7
Molecular Formula: C10H7NO2
Molecular Weight: 173.1681
MDL Number: MFCD00006901
SMILES: OC(=O)c1nccc2c1cccc2
NSC Number: 218351
Properties
BP: 405.6°C at 760 mmHg  
Form: Solid  
MP: 164 °C (dec.)(lit.)  
Refractive Index: n20/D 1.358(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 205  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Literature fold

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry20110127

Title: Tetra-ethyl-ammonium tricarbonyl-chlorido(isoquinoline-1-carboxyl-ato-κN,O)technetate(I).

Journal: Acta crystallographica. Section E, Structure reports online20080901

Title: Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate.

Journal: Acta crystallographica. Section C, Crystal structure communications20021201

Title: Bis(isoquinoline-1-carboxylato-kappa2O,N)(1,10-phenanthroline-kappa2N,N')zinc(II) dimethylformamide sesquisolvate.

Journal: Acta crystallographica. Section C, Crystal structure communications20020401

Title: Chloro(2,9-dimethyl-1,10-phenanthroline-N,N')(isoquinoline-1-carboxylato-O,N)copper(II).

Journal: Acta crystallographica. Section C, Crystal structure communications20011101

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