1-methyl-5-oxopyrrolidine-3-carbonitrile


Chemical Name: 1-methyl-5-oxopyrrolidine-3-carbonitrile
CAS Number: 172261-37-9
Product Number: AG003EIC(AGN-PC-022WWB)
Synonyms:
MDL No: MFCD18819188
Molecular Formula: C6H8N2O
Molecular Weight: 124.1405

Identification/Properties


Computed Properties
Molecular Weight:
124.143g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
124.064g/mol
Monoisotopic Mass:
124.064g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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