AG00909Q

107949-21-3 | Trans-1-[(4-ethylphenyl)ethynyl]-4-(4-propylcyclohexyl)benzene

AG00909Q

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CAS Number	107949-21-3
Catalog Number	AG00909Q(AGN-PC-0NWSBY)
Chemical Name	Trans-1-[(4-ethylphenyl)ethynyl]-4-(4-propylcyclohexyl)benzene
IUPAC Name	1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
InChI	InChI=1S/C25H30/c1-3-5-21-12-16-24(17-13-21)25-18-14-23(15-19-25)11-10-22-8-6-20(4-2)7-9-22/h6-9,14-15,18-19,21,24H,3-5,12-13,16-17H2,1-2H3
InChI Key	VWBHMDVHVYVIAR-UHFFFAOYSA-N
MDL Number	MFCD11053405
Molecular Formula	C25H30
Molecular Weight	330.5057
SMILES	CCC[C@H]1CC[C@@H](CC1)C2=CC=C(C#CC3=CC=C(CC)C=C3)C=C2
Synonyms	107949-21-3, 1-Ethyl-4-((4-(trans-4-propylcyclohexyl)phenyl)ethynyl)benzene, 202205-77-4, TRANS-1-(2-(4-ETHYLPHENYL)ETHYNYL)-4-(4-PROPYLCYCLOHEXYL)BENZENE, 1-[(4-ETHYLPHENYL)ETHYNYL]-4-(TRANS-4-PROPYLCYCLOHEXYL)BENZENE, 1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene, trans-1-[(4-Ethylphenyl)ethynyl]-4-(4-propylcyclohexyl)benzene, VWBHMDVHVYVIAR-UHFFFAOYSA-N, AC1LCGYE, CTK4E3590, 1-Ethyl-4-((4-(4-propylcyclohexyl)phenyl)ethynyl)benzene, KS-00000P0B, MFCD11053405, ZINC59796824, AKOS022177533, AKOS024259091, ZINC100003411, ZINC245189334, 133856-92-5, AK-50654, AN-33729, DS-15498, AJ-113692, DB-027346, CS-0061437, FT-0688764, 1-Ethyl-4-[4-(4-propylcyclohexyl)phenylethynyl]benzene, 1-Ethyl-4-([4-(4-propylcyclohexyl)phenyl]ethynyl)benzene #, Benzene, 1-[(4-ethylphenyl)ethynyl]-4-(4-propylcyclohexyl)-, 1-Ethyl-4-((4-((1s,4r)-4-propylcyclohexyl)phenyl)ethynyl)benzene, 1-[(4-Ethylphenyl)ethynyl]-4-[(1alpha)-4beta-propylcyclohexyl]benzene, Benzene,1-[(4-ethylphenyl)ethynyl]-4-(4-propylcyclohexyl)-, cis- (9CI), CID630234, 1-Ethyl-4-([4-(4-propylcyclohexyl)phenyl]ethynyl)benzene, 1-[(4-Propylphenyl)ethynyl]-4-(trans-4-propylcyclohexyl)-benzene, 1-[2-(4-ethylphenyl)ethynyl]-4-(trans-4-propylcyclohexyl)Benzene, trans-1-Ethyl-4-(2-(4-(4-propylcyclohexyl)phenyl)ethynyl)benzene, trans-1-[(4-Ethylphenyl)ethylnyl]-4-(4-propylcyclohexyl)benzene, 97% 250mg,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.235g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.515g/mol
Monoisotopic Mass	330.235g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.6

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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