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


Chemical Name: 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-
CAS Number: 4702-13-0
Product Number: AG003TBI(AGN-PC-0JKFIN)
Synonyms:
MDL No:
Molecular Formula: C10H7NO4
Molecular Weight: 205.1669

Identification/Properties


Properties
MP:
180 - 185 °C
BP:
343.83°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5600 (estimate)
Computed Properties
Molecular Weight:
205.169g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
205.038g/mol
Monoisotopic Mass:
205.038g/mol
Topological Polar Surface Area:
74.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
301
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:
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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