AG00527R

78593-40-5 | Quinoline, 3-ethynyl-

AG00527R

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WARNING This product is not for human or veterinary use.

CAS Number	78593-40-5
Catalog Number	AG00527R(AGN-PC-0KAPLV)
Chemical Name	Quinoline, 3-ethynyl-
IUPAC Name	3-ethynylquinoline
InChI	InChI=1S/C11H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h1,3-8H
InChI Key	ASBDHAOKWPWQMZ-UHFFFAOYSA-N
MDL Number	MFCD03286159
Molecular Formula	C11H7N
Molecular Weight	153.1800
SMILES	C#CC1=CC2=CC=CC=C2N=C1
Synonyms	3-ethynylquinoline, 78593-40-5, Quinoline, 3-ethynyl-, 3-ETHYNYL-QUINOLINE, SCHEMBL444107, CTK2G5135, DTXSID20365729, ASBDHAOKWPWQMZ-UHFFFAOYSA-N, AC1M0348, STK625513, ZINC13207209, AKOS005558891, AB13977, MCULE-1846188640, AJ-63456, DB-014277, F-1573, F2147-2169, Z2574917647, CID1965293, 34846-64-5,

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	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number