AG003EIC

172261-37-9 | 1-Methyl-5-oxopyrrolidine-3-carbonitrile

AG003EIC

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CAS Number	172261-37-9
Catalog Number	AG003EIC(AGN-PC-022WWB)
Chemical Name	1-Methyl-5-oxopyrrolidine-3-carbonitrile
IUPAC Name	1-methyl-5-oxopyrrolidine-3-carbonitrile
InChI	InChI=1S/C6H8N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2,4H2,1H3
InChI Key	BJKKPDLNTVOVON-UHFFFAOYSA-N
MDL Number	MFCD18819188
Molecular Formula	C6H8N2O
Molecular Weight	124.1405
SMILES	N#CC(C1)CN(C)C1=O
Synonyms	1-methyl-5-oxopyrrolidine-3-carbonitrile, 172261-37-9, SCHEMBL8692393, KS-00000EJS, DTXSID60596691, 5150AJ, MFCD18819188, AKOS013530581, MCULE-7427652166, RP19580, AS-32395, DA-09332, SY025975, FT-0720783, Z-3610, MFCD18819188 (97+%), F2147-0873, Z1421484483, C6H8N2O,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.064g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.143g/mol
Monoisotopic Mass	124.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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