AG00FBHR

73204-07-6 | 4-(4-Oxocyclohexyl)benzonitrile

AG00FBHR

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CAS Number	73204-07-6
Catalog Number	AG00FBHR(AGN-PC-0NKXKY)
Chemical Name	4-(4-Oxocyclohexyl)benzonitrile
EC Number	615-929-2
IUPAC Name	4-(4-oxocyclohexyl)benzonitrile
InChI	InChI=1S/C13H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-4,12H,5-8H2
InChI Key	XFRVACCGEKPJDI-UHFFFAOYSA-N
MDL Number	MFCD06410874
Molecular Formula	C13H13NO
Molecular Weight	199.2484
SMILES	N#CC1=CC=C(C2CCC(CC2)=O)C=C1
Synonyms	4-(4-Oxocyclohexyl)benzonitrile, 73204-07-6, 4-(4-Cyanophenyl)cyclohexanone, 4-(4-Oxocyclohexyl)-benzonitrile, 4-(4'-cyanophenyl)cyclohexanone, AK-36240, 4-Benzoylamino cyclohexanone, SCHEMBL250838, 4-(p-cyanophenyl)-cyclohexanone, CTK7C7707, DTXSID70578342, XFRVACCGEKPJDI-UHFFFAOYSA-N, 4-(4-oxo-cyclohexyl)-benzonitrile, KS-00000J6P, MFCD06410874, SBB055475, ZINC21984638, 4-(4-oxocyclohexyl)benzenecarbonitrile, 4-(P-CYANOPHENYL)CYCLOHEXANONE, AKOS006292050, AB25044, AC-1811, VZ27827, AJ-79230, AN-14546, AS-17695, BC206602, AB0020510, AX8019679, DB-028598, TC-030674, CS-0042840, FT-0602801, V1403, M-2263, 204C076, I14-9684, C13H13NO,

Complexity	270
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	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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