2(1H)-Isoquinolinepropanoic acid, 3,4-dihydro-1,3-dioxo-


Chemical Name: 2(1H)-Isoquinolinepropanoic acid, 3,4-dihydro-1,3-dioxo-
CAS Number: 75513-35-8
Product Number: AG003HZ7(AGN-PC-0LK97N)
Synonyms:
MDL No:
Molecular Formula: C12H11NO4
Molecular Weight: 233.2200

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
233.223g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
233.069g/mol
Monoisotopic Mass:
233.069g/mol
Topological Polar Surface Area:
74.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
352
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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