AG00855Y

103987-81-1 | 8-Ethynylquinoline

AG00855Y

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CAS Number	103987-81-1
Catalog Number	AG00855Y(AGN-PC-09QW9F)
Chemical Name	8-Ethynylquinoline
IUPAC Name	8-ethynylquinoline
InChI	InChI=1S/C11H7N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h1,3-8H
InChI Key	PBKFDEMENCIDDQ-UHFFFAOYSA-N
MDL Number	MFCD16878266
Molecular Formula	C11H7N
Molecular Weight	153.1800
SMILES	C#CC1=C2N=CC=CC2=CC=C1
Synonyms	8-ETHYNYLQUINOLINE, 103987-81-1, Quinoline, 8-ethynyl-, 8-quinolylethyne, 8-Ethynyl quinoline, ACMC-20ahq6, SCHEMBL737516, CTK0H2521, DTXSID90693485, PBKFDEMENCIDDQ-UHFFFAOYSA-N, BCP10619, ANW-73900, MFCD08703597, ZINC58626273, AKOS010651490, DS-2092, FS-3575, MP-1364, AK-94005, CJ-20827, AB0037820, AB1008015, AJ-113165, TC-162645, 4CH-010332, ST24030022, Y5151, null, C11H7N,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.184g/mol
Monoisotopic Mass	153.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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