Benzaldehyde, 4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-


Chemical Name: Benzaldehyde, 4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-
CAS Number: 60444-78-2
Product Number: AG003TNN(AGN-PC-0L5SEZ)
Synonyms:
MDL No: MFCD00133733
Molecular Formula: C12H9NO5
Molecular Weight: 247.2036

Identification/Properties


Properties
MP:
163°C
BP:
425.4°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Solubility:
methanol: soluble50mg/mL, clear to very faintly turbid, colorless
Computed Properties
Molecular Weight:
247.206g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
247.048g/mol
Monoisotopic Mass:
247.048g/mol
Topological Polar Surface Area:
80.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
368
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-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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