2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester


Chemical Name: 2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester
CAS Number: 22509-74-6
Product Number: AG003SVI(AGN-PC-0JKLSH)
Synonyms:
MDL No:
Molecular Formula: C11H9NO4
Molecular Weight: 219.1935

Identification/Properties


Properties
MP:
90-92 °C(lit.)
BP:
353.9±25.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.4950 (estimate)
Computed Properties
Molecular Weight:
219.196g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
219.053g/mol
Monoisotopic Mass:
219.053g/mol
Topological Polar Surface Area:
63.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
315
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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