2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, methyl ester


Chemical Name: 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CAS Number: 23244-58-8
Product Number: AG002MNP(AGN-PC-0JP38V)
Synonyms:
MDL No:
Molecular Formula: C11H9NO4
Molecular Weight: 219.1935

Identification/Properties


Properties
MP:
113℃
BP:
345.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
219.196g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
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:
Danger
UN#:
2811
Hazard Statements:
H301-H410
Precautionary Statements:
P273-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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