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Home Carboxys Isoquinoline-1-carboxylic acid

Isoquinoline-1-carboxylic acid

CAS No.:
486-73-7
Catalog Number:
AG003R5I
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$34
- +
100g
98%
In Stock USA
United States
$125
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003R5I
Chemical Name:
Isoquinoline-1-carboxylic acid
CAS Number:
486-73-7
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00006901
IUPAC Name:
isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChI Key:
XAAKCCMYRKZRAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc2c1cccc2
EC Number:
207-639-6
NSC Number:
218351
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Tetra-ethyl-ammonium tricarbonyl-chlorido(isoquinoline-1-carboxyl-ato-κN,O)technetate(I). Acta crystallographica. Section E, Structure reports online 20080901
Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate. Acta crystallographica. Section C, Crystal structure communications 20021201
Bis(isoquinoline-1-carboxylato-kappa2O,N)(1,10-phenanthroline-kappa2N,N')zinc(II) dimethylformamide sesquisolvate. Acta crystallographica. Section C, Crystal structure communications 20020401
Chloro(2,9-dimethyl-1,10-phenanthroline-N,N')(isoquinoline-1-carboxylato-O,N)copper(II). Acta crystallographica. Section C, Crystal structure communications 20011101
Properties