2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-,2-(1,1-dimethylethyl) ester, (3R)-


Chemical Name: 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-,2-(1,1-dimethylethyl) ester, (3R)-
CAS Number: 214630-00-9
Product Number: AG007181(AGN-PC-0QY0C2)
Synonyms:
MDL No:
Molecular Formula: C15H19NO5
Molecular Weight: 293.3151

Identification/Properties


Computed Properties
Molecular Weight:
293.319g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
293.126g/mol
Monoisotopic Mass:
293.126g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
417
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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