AG003BVP

351002-90-9 | 4-Ethynylphenylacetonitrile

AG003BVP

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CAS Number	351002-90-9
Catalog Number	AG003BVP(AGN-PC-00SFKS)
Chemical Name	4-Ethynylphenylacetonitrile
IUPAC Name	2-(4-ethynylphenyl)acetonitrile
InChI	InChI=1S/C10H7N/c1-2-9-3-5-10(6-4-9)7-8-11/h1,3-6H,7H2
InChI Key	CZUBOLAETAAHLA-UHFFFAOYSA-N
MDL Number	MFCD05664204
Molecular Formula	C10H7N
Molecular Weight	141.1693
SMILES	C(#C)C1=CC=C(C=C1)CC#N
Synonyms	4-Ethynylphenylacetonitrile, 351002-90-9, 2-(4-ethynylphenyl)acetonitrile, (4-ethynylphenyl)acetonitrile, Benzeneacetonitrile, 4-ethynyl-, MFCD05664204, AK-46564, 4-Ethynylbenzeneacetonitrile, KSC497S1L, SCHEMBL350733, CTK3J7915, DTXSID10581739, 4-Ethynylphenylacetonitrile, 97%, CZUBOLAETAAHLA-UHFFFAOYSA-N, KS-00000OE8, ZINC2548213, ANW-49582, AKOS015836153, CS-W016438, FCH1120366, RTR-036574, TRA0097871, AJ-39502, BR-46564, CJ-09319, DS-13894, SC-95087, AB0024401, AX8208892, ST2411400, TR-036574, FT-0689947, W5671, S-2475, I01-8891, J-019896, F0001-1017, C10H7N,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.173g/mol
Monoisotopic Mass	141.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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