3-Isoquinolinecarboxylic acid, 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxy-


Chemical Name: 3-Isoquinolinecarboxylic acid, 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxy-
CAS Number: 374620-70-9
Product Number: AG01E4C7(AGN-PC-0O9G08)
Synonyms:
MDL No:
Molecular Formula: C17H11NO7
Molecular Weight: 341.2717

Identification/Properties


Computed Properties
Molecular Weight:
341.275g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
341.054g/mol
Monoisotopic Mass:
341.054g/mol
Topological Polar Surface Area:
148A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
527
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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