AG003EZI

4594-78-9 | 3-(2-Oxocyclohexyl)propanenitrile

AG003EZI

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CAS Number	4594-78-9
Catalog Number	AG003EZI(AGN-PC-0JM1RJ)
Chemical Name	3-(2-Oxocyclohexyl)propanenitrile
EC Number	224-991-6
IUPAC Name	3-(2-oxocyclohexyl)propanenitrile
InChI	InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
InChI Key	SPTVCXKSSRBTMN-UHFFFAOYSA-N
MDL Number	MFCD00013797
Molecular Formula	C9H13NO
Molecular Weight	151.2056
SMILES	O=C1CCCCC1CCC#N
Synonyms	3-(2-Oxocyclohexyl)propanenitrile, 4594-78-9, 2-(2-Cyanoethyl)cyclohexanone, 2-(2-Cyanethyl)cyclohexanone, Cyclohexanepropanenitrile, 2-oxo-, 2-Oxo-1-cyclohexanepropionitrile, Cyclohexanepropionitrile, 2-oxo-, 2-Oxocyclohexanepropionitrile, 2-(beta-Cyanoethyl)cyclohexanone, SPTVCXKSSRBTMN-UHFFFAOYSA-N, 2-(.beta.-Cyanoethyl)cyclohexanone, 2-(b-CYANOETHYL)CYCLOHEXANONE, MFCD00013797, W-200027, 2-Oxocyclohexanepropiononitrile, EINECS 224-991-6, ACMC-209tui, AI3-33245, AC1L3W0B, AC1Q6EP2, AC1Q6EP3, AC1Q6EP4, SCHEMBL1073122, 2-(2-cyanoethyl)-cyclohexanone, Cyclohexanepropanenitrile,2-oxo-, CTK4I9032, 3-(2-Oxocyclohexyl)propionitrile, 2-(2-oxocyclohexyl)ethyl cyanide, 2-oxo-1-cyclohexane propionitrile, 3-(2-cyclohexanonyl)propionitrile, ACT03813, ALBB-021013, NSC60268, ZX-AN036625, ZX-AT024814, 3-(2-oxo-cyclohexyl)-propionitrile, 3-(2-Oxocyclohexyl)propanenitrile #, 6319AB, ANW-42952, CO-024, FCH931783, NSC-60268, NSC119497, SBB005853, AKOS004911198, NSC-119497, VZ23103, ACM45940789, 2-(2-Cyanethyl)cyclohexanone, >=97.0%, AX8062883, ST2417350, TX-016026, FT-0635366, ST50308031, A-2993, C-51556, I14-7957, 2- cyclohexanone, C9H13NO, C9-H13-N-O, CID96223, AR-1C6682, A7198, 4923-86-8,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.1g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.209g/mol
Monoisotopic Mass	151.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H311-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338-P311
Siginal words

Certificate of Analysis

Lot Number