AG002QJA

25115-74-6 | Cyclohexanecarbonitrile, 4-oxo-1-phenyl-

AG002QJA

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CAS Number	25115-74-6
Catalog Number	AG002QJA(AGN-PC-0JLZ3M)
Chemical Name	Cyclohexanecarbonitrile, 4-oxo-1-phenyl-
EC Number	246-631-7
IUPAC Name	4-oxo-1-phenylcyclohexane-1-carbonitrile
InChI	InChI=1S/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2
InChI Key	GKXOABVSZWCJJK-UHFFFAOYSA-N
MDL Number	MFCD00044816
Molecular Formula	C13H13NO
Molecular Weight	199.2484
SMILES	N#CC1(C2=CC=CC=C2)CCC(CC1)=O
Synonyms	25115-74-6, 4-Cyano-4-phenylcyclohexanone, 4-Oxo-1-phenylcyclohexanecarbonitrile, 4-oxo-1-phenylcyclohexane-1-carbonitrile, Cyclohexanecarbonitrile, 4-oxo-1-phenyl-, 4-Oxo-1-phenylcyclohexanenitrile, MFCD00044816, GKXOABVSZWCJJK-UHFFFAOYSA-N, 4-oxo-1-phenyl-cyclohexanecarbonitrile, FR-2307, 4-oxo-1-phenyl-1-cyclohexanecarbonitrile, EN300-21033, 4-Cyano-4-phenylcyclohexanone, 97%, EINECS 246-631-7, ACMC-1CISS, AC1L3LRJ, AC1Q6EJS, AC1Q6EJT, AC1Q6KRT, 4-cyano-4phenylcyclohexanone, 4-phenyl 4-cyanocylohexanone, 4-phenyl 4-cyanocyclohexanone, SCHEMBL735798, 4-cyano-4-phenyl-cyclohexanone, CTK4F5012, DTXSID80179804, HMS1779L01, ZINC207096, CC-753, SBB008596, 1-Phenyl-4-oxocyclohexanecarbonitrile, AKOS000120734, 4 - Cyano - 4 - phenylcyclohexanone, AS06577, CM10831, MCULE-6630471264, NE51044, VZ35289, 4-oxo-1-phenyl-cyclohexane carbonitrile, 4-Oxo-1-phenylcyclohexanecarbonitrile #, ACM25115746, Cyclohexanecarbonitrile,4-oxo-1-phenyl-, AJ-17896, AS-38196, SC-53827, ZB009519, AX8239544, DB-046628, TR-011497, EU-0014973, FT-0618293, O0470, ST50406109, 115C746, A817653, C-49972, 4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile, I14-9049, I14-109708, Z172492196, 4-(4-Cyanophenyl)cyclohexanone, C13-H13-N-O, CID91282, AR-1G2008, ZINC00207096, 4-Cyano-4-phenylcyclohexanone, 97% - 25G 25g, 25635-12-5,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.253g/mol
Monoisotopic Mass	199.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number