1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1R)-


Chemical Name: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1R)-
CAS Number: 151004-93-2
Product Number: AG001N0A(AGN-PC-0O4846)
Synonyms:
MDL No: MFCD03426332
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998

Identification/Properties


Properties
MP:
239-240℃(Solv: water (7732-18-5); acetone (67-64-1))
BP:
370.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
177.203g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
177.079g/mol
Monoisotopic Mass:
177.079g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
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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