4-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-, methyl ester


Chemical Name: 4-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-, methyl ester
CAS Number: 37497-84-0
Product Number: AG00C0LI(AGN-PC-0JU7NO)
Synonyms:
MDL No:
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941

Identification/Properties


Properties
MP:
259-261 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
203.197g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
203.058g/mol
Monoisotopic Mass:
203.058g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
322
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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