AG003F4F

6443-85-2 | 2-(Pyridin-3-yl)acetonitrile

AG003F4F

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CAS Number	6443-85-2
Catalog Number	AG003F4F(AGN-PC-0JLSXA)
Chemical Name	2-(Pyridin-3-yl)acetonitrile
EC Number	229-241-1
IUPAC Name	2-pyridin-3-ylacetonitrile
InChI	InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2
InChI Key	OIPHWUPMXHQWLR-UHFFFAOYSA-N
MDL Number	MFCD00006406
Molecular Formula	C7H6N2
Molecular Weight	118.1359
NSC Number	83226
SMILES	N#CCC1=CC=CN=C1
Synonyms	6443-85-2, 3-Pyridylacetonitrile, 3-Pyridineacetonitrile, 2-(pyridin-3-yl)acetonitrile, Pyridine-3-acetonitrile, 3-Cyanomethylpyridine, 3-(Cyanomethyl)pyridine, pyridin-3-ylacetonitrile, MFCD00006406, 2-pyridin-3-ylacetonitrile, 3-Pyridylacetonitrile, 98%, OIPHWUPMXHQWLR-UHFFFAOYSA-N, 2-(3-pyridyl)ethanenitrile, pyridin-3-yl-acetonitrile, NSC83226, EINECS 229-241-1, NSC 83226, 3-pyridyl acetonitrile, pyrid-3-ylacetonitrile, 3-Pyridine acetonitrile, pyrid-3-yl-acetonitrile, 3-Pyridinylacetonitrile #, AC1L30AD, AC1Q4S1O, ACMC-1B43A, SCHEMBL254758, AC1Q4S49, AMPD00252, CTK2F6827, OIPHWUPMXHQWLR-UHFFFAOYSA-, ZINC391916, ALBB-009272, KS-00000K6F, ANW-34875, NSC-83226, SBB027148, STK505791, AKOS000200426, CS-W009194, MCULE-4281335903, QC-1840, RL04459, RTR-022075, TRA0025180, AC-24997, AJ-21169, AK-44402, AS-16040, CJ-03546, R947, SC-21789, ZB012120, DB-016022, ST2416239, ST4150457, TR-022075, AM20061403, BB 0254178, FT-0636152, P1232, EN300-27473, M-5567, 443P852, W-104839, I14-30236, InChI=1/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2, C7H6N2, C7-H6-N2, CID80923, AR-1F2823, ACN-028353, 3-Pyridylacetonitrile, 98% - 1G 1g, 6628-13-3,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.053g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.139g/mol
Monoisotopic Mass	118.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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