AG00DY55

50551-29-6 | (1H-Pyrrol-2-yl)-acetonitrile

AG00DY55

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CAS Number	50551-29-6
Catalog Number	AG00DY55(AGN-PC-00KQDB)
Chemical Name	(1H-Pyrrol-2-yl)-acetonitrile
IUPAC Name	2-(1H-pyrrol-2-yl)acetonitrile
InChI	InChI=1S/C6H6N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3H2
InChI Key	MKVATVUOVMCHJJ-UHFFFAOYSA-N
MDL Number	MFCD09878875
Molecular Formula	C6H6N2
Molecular Weight	106.1252
SMILES	N#CCC1=CC=CN1
Synonyms	Pyrrole-2-acetonitrile, 50551-29-6, 2-(1H-pyrrol-2-yl)acetonitrile, (1H-Pyrrol-2-yl)-acetonitrile, (1H-Pyrrol-2-yl)acetonitrile, 1H-Pyrrole-2-acetonitrile, 1H-pyrrol-2-acetonitrile, 2-azolylacetonitrile, 2-Cyanomethylpyrrole, 2-pyrrol-2-ylethanenitrile, 1H-pyrrol-2-ylacetonitrile, SCHEMBL3490675, KS-00000EHX, MKVATVUOVMCHJJ-UHFFFAOYSA-N, 1010AJ, MFCD09878875, STL220646, ZINC39386088, AKOS010639588, MCULE-3557357757, AC-29867, CS-11366, SY017222, AJ-100123, DB-071220, TC-308758, FT-0724742, ST45244478, EN300-54457, MFCD09878875 (95%), Z-5233, Z1258578244, -acetonitrile, C6H6N2, 107-59-5,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	106.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	106.128g/mol
Monoisotopic Mass	106.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number