Phthalide


Chemical Name: Phthalide
CAS Number: 87-41-2
Product Number: AG003TRL(AGN-PC-0WAET3)
Synonyms:
MDL No:
Molecular Formula: C8H6O2
Molecular Weight: 134.1320

Identification/Properties


Properties
MP:
71-74 °C(lit.);
BP:
290.0°C
Storage:
Light sensitive;Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5360 (estimate)
Computed Properties
Molecular Weight:
134.134g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
134.037g/mol
Monoisotopic Mass:
134.037g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
153
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#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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