AG000DCP

116903-46-9 | Benzene, 1-ethoxy-4-[2-(4-methylphenyl)ethynyl]-

AG000DCP

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CAS Number	116903-46-9
Catalog Number	AG000DCP(AGN-PC-0K1YQ0)
Chemical Name	Benzene, 1-ethoxy-4-[2-(4-methylphenyl)ethynyl]-
IUPAC Name	1-ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene
InChI	InChI=1S/C17H16O/c1-3-18-17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,10-13H,3H2,1-2H3
InChI Key	DURDZFYGFXPFAV-UHFFFAOYSA-N
MDL Number	MFCD01817758
Molecular Formula	C17H16O
Molecular Weight	236.3083
SMILES	CC1=CC=C(C#CC2=CC=C(OCC)C=C2)C=C1
Synonyms	116903-46-9, 1-ethoxy-4-(p-tolylethynyl)benzene, 1-ETHOXY-4-[2-(4-METHYLPHENYL)ETHYNYL]BENZENE, 1-ETHOXY-4-(2-P-TOLYLETHYNYL)BENZENE, 1-Ethoxy-4-[(4-methylphenyl)ethynyl]benzene, 1-(2-(4-Ethoxyphenyl)ethynyl)-4-methylbenzene, MFCD01817758, SCHEMBL4801213, DTXSID80360937, ZINC970971, KS-00000M8A, 4-Ethoxy-4-methyl-diphenylacetylene, AKOS022177301, AS04558, CS-W012873, 1-ethoxy-4-[2-(p-tolyl)ethynyl]benzene, AJ-24614, AK-40297, AN-33175, DS-13539, DB-027403, FT-0687694, 1-Ethoxy-4-[(4-methylphenyl)ethynyl]-benzene, 903E469, Benzene, 1-ethoxy-4-[2-(4-methylphenyl)ethynyl]-, CID1203167, 1-[2-(4-ethoxyphenyl)ethynyl]-4-methyl-benzene,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.12g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.314g/mol
Monoisotopic Mass	236.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	9.2A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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