AG00C7Z4

360768-57-6 | 4-Ethynyl-4'-propyl-1,1'-biphenyl

AG00C7Z4

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CAS Number	360768-57-6
Catalog Number	AG00C7Z4(AGN-PC-02KH4X)
Chemical Name	4-Ethynyl-4'-propyl-1,1'-biphenyl
IUPAC Name	1-ethynyl-4-(4-propylphenyl)benzene
InChI	InChI=1S/C17H16/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-13H,3,5H2,1H3
InChI Key	ZBSZCHDBZRCUES-UHFFFAOYSA-N
MDL Number	MFCD01321234
Molecular Formula	C17H16
Molecular Weight	220.3089
SMILES	CCCC1=CC=C(C2=CC=C(C#C)C=C2)C=C1
Synonyms	4-Ethynyl-4'-propyl-1,1'-biphenyl, 360768-57-6, 4-Ethynyl-4'-propylbiphenyl, AK-40305, 4-Propyl-4'-ethynylbiphenyl, DTXSID50600251, ZBSZCHDBZRCUES-UHFFFAOYSA-N, 4-Ethynyl-4-propyl-1,1-Biphenyl, MFCD18072535, ZINC72194446, AKOS015909766, 4-trans(4-ethyl cyclohexyl) iodobenzene, ACM360768576, DS-13541, OR399019, AB1008285, AJ-119580, DB-069308, FT-0688754, ST24043714, I14-31780, null, 918826-32-1,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.125g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.315g/mol
Monoisotopic Mass	220.125g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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