AG00DFMV

477587-89-6 | 1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI)

AG00DFMV

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CAS Number	477587-89-6
Catalog Number	AG00DFMV(AGN-PC-080U23)
Chemical Name	1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI)
IUPAC Name	1-ethyl-4-(4-ethynylphenyl)benzene
InChI	InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3
InChI Key	LMCBMOAZJXJAIV-UHFFFAOYSA-N
MDL Number	MFCD01333522
Molecular Formula	C16H14
Molecular Weight	206.2824
SMILES	C#CC1=CC=C(C2=CC=C(CC)C=C2)C=C1
Synonyms	4-Ethyl-4'-ethynyl-1,1'-biphenyl, 477587-89-6, 4-ETHYL-4'-ETHYNYLBIPHENYL, AK-46129, 1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI), KS-00000HRJ, DTXSID90677321, 1-ethyl-4-(4-ethynylphenyl)benzene, MFCD01333522, ZINC66352108, AKOS015917478, ACM477587896, AN-28177, DS-13770, AJ-116661, DB-070850, FT-0687688, 587E896, I14-9666, 1,1-biphenyl,4-ethyl-4-ethynyl-, 1,1-Biphenyl, 4-ethyl-4-ethynyl- (9CI),

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.288g/mol
Monoisotopic Mass	206.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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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