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1000545-64-1,MFCD09925161
Catalog No.:AA0000MP
6-Isoquinolineacetic acid | 1000545-64-1
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
1 week  
$623.00
- +
500mg
95.0%
1 week  
$649.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000MP
Chemical Name:
6-Isoquinolineacetic acid
CAS Number:
1000545-64-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD09925161
IUPAC Name:
2-isoquinolin-6-ylacetic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)6-8-1-2-10-7-12-4-3-9(10)5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
QBBKZWYMVFEWSI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)ccnc2
Properties
Computed Properties
 
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
2-(isoquinolin-6-yl)acetic acid 
1000545-64-1 
AKOS006312843 
NE64347 
RP03498 
2-?(Isoquinolin-?6-?yl)?acetic acid 
SC-34437 
AJ-109679 
DB-058256 
TC-072059 
FT-0710029 
Y6752 
Isoquinolin-6-yl-acetic acid 
J-506447 
W-204328 
100054-56-6 
C11H9NO2 
ACN-038861 
6-Isoquinolineacetic acid 
(Isoquinolin-6-yl)acetic acid 
SCHEMBL2698312 
CTK8D3610 
DTXSID60598054 
MFCD09925161 
ZINC44375034 
Literature
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