methyl (3R)-1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate


Chemical Name: methyl (3R)-1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate
CAS Number: 91092-92-1
Product Number: AG006R1N(AGN-PC-095F0W)
Synonyms:
MDL No:
Molecular Formula: C11H9NO4
Molecular Weight: 219.1935

Identification/Properties


Properties
MP:
220-224℃ (lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
219.196g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
219.053g/mol
Monoisotopic Mass:
219.053g/mol
Topological Polar Surface Area:
72.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
339
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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