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Isoquinoline-3-carboxylic acid

CAS No.:
6624-49-3
Catalog Number:
AG00FASO
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$100
- +
10g
97%
In Stock USA
United States
$175
- +
25g
97%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG00FASO
Chemical Name:
Isoquinoline-3-carboxylic acid
CAS Number:
6624-49-3
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00167216
IUPAC Name:
isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
InChI Key:
KVMMIDQDXZOPAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2c(c1)cccc2
UNII:
NG3LB0ST2P
NSC Number:
53385
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  
Literature
Title Journal
A class of novel N-isoquinoline-3-carbonyl-L-amino acid benzylesters: synthesis, anti-tumor evaluation and 3D QSAR analysis. European journal of medicinal chemistry 20110501
Unusual mass spectrometric dissociation pathway of protonated isoquinoline-3-carboxamides due to multiple reversible water adduct formation in the gas phase. Journal of the American Society for Mass Spectrometry 20091101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate. Acta crystallographica. Section C, Crystal structure communications 20040701
Properties