2,5-Pyrrolidinedione, 1-[(cyanoacetyl)oxy]-


Chemical Name: 2,5-Pyrrolidinedione, 1-[(cyanoacetyl)oxy]-
CAS Number: 56657-76-2
Product Number: AG00E8QG(AGN-PC-09RX14)
Synonyms:
MDL No: MFCD00798802
Molecular Formula: C7H6N2O4
Molecular Weight: 182.1335

Identification/Properties


Computed Properties
Molecular Weight:
182.135g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
182.033g/mol
Monoisotopic Mass:
182.033g/mol
Topological Polar Surface Area:
87.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
298
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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